Molinspiration Publications 2017

Hundreds of researchers from academia and industry are using Molinspiration software and free Molinspiration molecular property calculation services, what resulted in over 5000 publications so far. Some publications citing and acknowledging Molinspiration are shown below.

In silico Pharmacokinetic, Bioactivity and Toxicity Evaluation of Some Selected Anti-Ulcer Agents
N Kumar, SS Mishra, CS Sharma, HP Singh… - International Journal of …, 2017 -

In silico ADME, Bioactivity and Toxicity Prediction of Some Selected Anti-Parkinson Agents
HP Singh, CS Sharma, SS Mishra, H Pandiya… - International Journal of …, 2017 -

Pharmacokinetic evaluation of callistemon viminalis derived natural compounds as targeted inhibitors against δ-opioid receptor and farnesyl transferase
K Ahmad, A Roouf Bhat, F Athar - Letters in Drug Design & …, 2017 -

Computational Analysis of Pharmacokinetic, Bioactivity and Toxicity Parameters of Some Selected Antihypertensive Agents
HP Singh, SS Mishra, CS Sharma, N Kumar - International Journal of …, 2017 -

Relative Properties and Relative Potency of Various Hydrazide Compounds That Inhibit Growth of Mycobacterium tuberculosis
R Bartzatt - IOSR Journal of Pharmacy and Biological …, 2017 -

Computational Prediction of Pharmacokinetic, Bioactivity and Toxicity Parameters of Some Selected Anti arrhythmic Agents
SS Mishra, N Kumar, G Sirvi, CS Sharma… - The Pharmaceutical and …, 2017 -

Development and validation of a reversed-phase HPLC method for the determination of lisinopril and gliclazide in pharmaceuticals
S Şenkardeş, T Özaydın, T Uğurlu, ŞG Küçükgüzel - 2017 -

Comparative Analysis of Antihistamines and Nonsteroidal Anti-inflammatory Drugs (NSAIDs): Properties, Structure and Prediction of New Potential Drugs
R Bartzatt - Journal of Advances in Medical and …, 2017 -

SS Mishra, N Kumar, H Pandiya, H Pratap, CSS Singh -

YM Charde, SG Dhage, GK Lohiya… - International Journal of …, 2017 -

Theoretical Validation of Medicinal Properties of Ginger
P Kulkarni, S Suryawanshi - 2017 -

Pyrimethamine Based Anti-protozoan Agents from Isostere and Heuristic Structure-similarity Search
R Bartzatt - British Journal of Pharmaceutical …, 2017 -

Farmasötik ürünlerde lisinopril ve gliklazid tayini için ters faz-yüksek basınçlı sıvı kromatografisi yönteminin geliştirilmesi ve validasyonu
S Şenkardeş, T Özaydın, T Uğurlu… - Marmara Pharmaceutical … -

Insilco Screening and Molecular Docking to Identify a Novel Inhibitor for Aldose Reductase
AP Rajan, S Jayachandra, S Lulu… - … Sciences and Research, 2017 -

Insilico Design of Novel Kinase Inhibitor and its Docking Studies
MS Harika, TR Kumar, LSS Reddy -

Identification of New Inhibitor against Mycobacterium tuberculosis using Structure Based Drug Designing and Docking Studies
S Sivakumar, D Sangeetha - Research Journal of …, 2017 -

Molecular docking analysis of Carica papaya Linn constituents as antiviral agent
N Radhakrishnan, KW Lam… - … Food Research Journal, 2017 -

Antioxidant and Antimicrobial Potential of Natural Colouring Pigment Derived from Bixa orellana L. Seed Aril
VK Nathan, ME Rani, G Rathinasamy… - Proceedings of the … - Springer

Journal of Chemical and Pharmaceutical Research, 2017, 9 (4): 134-138
MS Harika, V Renukadevi, S Bhargavi… - Journal of Chemical …, 2017 -

Molecular Properties and Bio-Activity Score of 2 {[2-(4-chlorophenyl)-4-oxoquinazolin-3 (4H)-yl] amino}-N-(substitutedphenyl) Acetamides
S Rajasekaran, GK Rao - Journal of …, 2017 - journalofpharmaceuticalresearch …

Synthesis, Characterization, Docking study and Anti-Bacterial Evaluation of Benzimidazole Derivatives as Biotin Carboxylase Inhibitors
K Hemalatha, DN Raj, MF Begam, S VK… - Asian Journal of …, 2017 -

Pharmacological Sirt6 inhibition improves glucose tolerance in a type 2 diabetes mouse model
G Sociali, M Magnone, S Ravera, P Damonte… - The FASEB …, 2017 -

In silico rationalized novel low molecular weight 1, 2, 4-triazolyldithiocarbamates: Design, synthesis, and mycocidal potential
K Gumber, A Sidhu, VK Sharma - Russian Journal of Applied Chemistry, 2017 - Springer

New method for predict biological activity of kinases inhibitors
GS Fernandes, MB de Moura Pereira, G Rodrigo… - 2017 -

Synthesis, spectral characterization, in vitro antibacterial evaluation and POM analyses of palladium (II) thiocyanate complexes of thioamides
S Nadeem, M Sirajuddin, S Ahmad, S Yaqub… - Pharmaceutical …, 2017 - Springer

Pharmacoinformatics and molecular docking studies reveal potential novel Proline Dehydrogenase (PRODH) compounds for Schizophrenia inhibition
SA Sehgal - Medicinal Chemistry Research, 2017 - Springer

Pharmacognostical, Phytochemical Evaluation and in silico lead finding of Ficus bengalensis Linn with hepatoprotective potentials
R Patel, QR Code -

Molecular docking analysis of phytic acid and 4-hydroxyisoleucine as cyclooxygenase-2, microsomal prostaglandin E synthase-2, tyrosinase, human …
R Narayanaswamy, LK Wai, NM Esa - Pharmacognosy magazine, 2017 -

Antitumor potential of 1-thiocarbamoyl-3, 5-diaryl-4, 5-dihydro-1H-pyrazoles in human bladder cancer cells
JW Tessmann, J Buss, KR Begnini, LM Berneira… - Biomedicine & …, 2017 - Elsevier

K Praveen, K Yellamma -

Pharmacoinformatics exploration of polyphenol oxidases leading to novel inhibitors by virtual screening and molecular dynamic simulation study
M Hassan, Q Abbas, Z Ashraf, AA Moustafa… - … biology and chemistry, 2017 - Elsevier

Synthesis and Biological Evaluation of New 3, 4-diarylmaleimides as Enhancers (modulators) of Doxorubicin Cytotoxic Activity on Cultured Tumor Cells from a …
JR Gutierrez-Cano, PD Nahide, V Ramadoss… - Journal of the Mexican …, 2017 -

Novel trends in cyclodextrins encapsulation. Applications in food science
C dos Santos, P Buera, F Mazzobre - Current Opinion in Food Science, 2017 - Elsevier

2, 3-Disubstituted Quinazolinones: Study of its Anti-microbial Activity
K Girija, S Sathiyaraj, V Rajendiran… - Research Journal of …, 2017 -

Synthesis and antileishmanial activity of 1, 3-bis (aryloxy) propan-2-amines
SN Lavorato, MC Duarte, DP Lage… - Medicinal Chemistry …, 2017 - Springer

M Arshad, M Shadab -

V VEERARAGAVAN, R NARAYANASWAMY… - Asian J Pharm Clin …, 2017 -

Structural insights into anticancer activity of D‐ring modified estrone derivatives using their lipophilicity in estimation of SAR and molecular docking studies
J Trifunović, V Borčić, S Vukmirović… - Drug testing and …, 2017 - Wiley Online Library

AMMOS2: a web server for protein–ligand–water complexes refinement via molecular mechanics
CM Labbé, T Pencheva, D Jereva… - Nucleic acids …, 2017 -

Molecular docking and pharmacokinetic prediction of herbal derivatives as maltase-glucoamylase inhibitor
PJ Ochieng, T Sumaryada, D Okun - Asian J. Pharmaceut. Clin …, 2017 -

Virtual Screening and Analysis of Bioactive Compounds of Momordica charantia against Diabetes using Computational Approaches
J Suganya, M Radha, S Manoharan… - Research Journal of …, 2017 -

Analogues of desferrioxamine B designed to attenuate iron-mediated neurodegeneration: synthesis, characterisation and activity in the MPTP-mouse model of …
MP Gotsbacher, TJ Telfer, PK Witting, KL Double… - Metallomics, 2017 -

G Krishnamoorthy, SS Banu, R Senthamarai, AM Ismail - 2017 -

VP Sinoorkar, YN Joshi, BB Kudkyal -

In-silico study on plant determined flavonoids compounds for the synthetic medications against breast cancer growth
G Singhal, A Roy, N Bharadvaja - Journal of Ayurvedic and Herbal …, 2017 -

Cuparane sesquiterpenes from Laurencia natalensis Kylin as inhibitors of alpha-glucosidase, dipeptidyl peptidase IV and xanthine oxidase
KRR Rengasamy, LP Slavětínská, MG Kulkarni… - Algal Research, 2017 - Elsevier

Selection of Appropriate Inhibitor for Ovarian Type Cytochrome P450 Aromatase Gene of Heteropneustesfossilis with the Application of Homology Modeling …
H Sabia, R Chaube - International Journal on Recent and Innovation …, 2017 -

Insights from molecular modeling into the selective inhibition of cathepsin S by its inhibitor
S Ahmad, MI Siddiqi - Journal of molecular modeling, 2017 - Springer

Molecular Docking Studies of N-5-Aryl-1, 3, 4-oxadiazolo-2, 2-dichloroacetamidines as Inhibitors of Enoyl-ACP Reductase Mycobacterium tuberculosis
PV Zadorozhnii, VV Kiselev, AE Titova… - Research Journal of …, 2017 -

The Evaluation of Angiotensin-Converting Enzyme Inhibitors in Renal Elimination with Selected Molecular Descriptors
J Trbojevic, J Odovic, J Trbojevic-Stankovic… - Serbian Journal of …, 2017 -

G Abirami, N Moganambal, P Mohana, J Mohanapriya… -

E Cherneva, T Kolev - PHARMACIA, 2017 -

Structure Based docking studies towards exploring potential anti-androgen activity of selected phytochemicals against Prostate Cancer
AN Singh, MM Baruah, N Sharma - Scientific Reports, 2017 -

Construction, synthesis and evolution of new P-sulphonamidobenzoylamino 2-oxindole derevatives with potential chemotherapeutic properties
A Abderrahim, RG Redkin, LA Schemchuk… - 2017 -

A network pharmacology approach to determine the active components and potential targets of Curculigo orchioides in the treatment of osteoporosis
N Wang, G Zhao, Y Zhang, X Wang… - … medical journal of …, 2017 -

Theoretical study of a series of phenol derivatives: molecular properties vs. cytotoxicity
M Michalík, L Sádecká, V Lukeš - Acta Chimica Slovaca, 2017 -

Structure–Activity Relationships of Potent, Targeted Covalent Inhibitors That Abolish Both the Transamidation and GTP Binding Activities of Human Tissue …
A Akbar, NMR McNeil, MR Albert, V Ta… - Journal of medicinal …, 2017 - ACS Publications

5-Ethynylarylnaphthalimides as antitumor agents: Synthesis and biological evaluation
P Quintana-Espinoza, P Martín-Acosta… - Bioorganic & medicinal …, 2017 - Elsevier

Rational design and microwave assisted synthesis of some novel phenyl thiazolyl clubbed s-triazine derivatives as antimalarial antifolate
JM Kalita, SK Ghosh, S Sahu, M Dutta - Future Journal of Pharmaceutical …, 2017 - Elsevier

In silico pharmacodynamics, toxicity profile and biological activities of the Saharan medicinal plant Limoniastrum feei
O Ammar - Brazilian Journal of Pharmaceutical Sciences, 2017 - SciELO Brasil

Computational Evaluation of the Druggability and Biological Activity of Iodo-1, 4-dihydropyridine Derivatives
A Salma, E Sherbeni, F Tarek, E Moselhy -

Assessment of the relationship between the molecular properties of calcium channel blockers and plasma protein binding data
JV Odović, JB Trbojević… - Archives of Biological …, 2017 -

A Viability Study for the Production of Biofilms and In Silico Predictions of Major Compounds in Kefir
AF Oliveira, CBR Santos, AM Ferreira… - Journal of …, 2017 -

Identification of Lead Molecules in Garcinia mangostana L. Against Pancreatic Cholesterol Esterase Activity: An In Silico Approach
GK Varghese, R Abraham, NN Chandran… - Interdisciplinary …, 2017 - Springer

Structure—activity relationship in the series of 1,3,4-6Н-thiadiazines correcting metabolic disorders in experimental diabetes mellitus
VV Emelianov, AV Ivanov, EA Savateeva… - Russian Chemical …, 2017 - Springer

Informatics in Medicine Unlocked
S Mounika, J Ganugapati -

Targeted inhibition of Klotho binding to fibroblast growth factor 23 prevents hypophosphetemia
M Fakhar, S Rashid - Journal of Molecular Graphics and Modelling, 2017 - Elsevier

Comparative in silico analyses of Cannabis sativa, Prunella vulgaris and Withania somnifera compounds elucidating the medicinal properties against rheumatoid …
M Zaka, SA Sehgal, S Shafique, BH Abbasi - Journal of Molecular Graphics …, 2017 - Elsevier

NP Lakshmi, SH Latha - 2017 -

Pharmacoinformatics study of Piperolactam A from Piper betle root as new lead for non steroidal anti fertility drug development
SA Amin, P Bhattacharya, S Basak, S Gayen… - … biology and chemistry, 2017 - Elsevier

Accepting the Invitation to Open Innovation in Malaria Drug Discovery: Synthesis, Biological Evaluation, and Investigation on the Structure–Activity Relationships of …
M Pieroni, E Azzali, N Basilico, S Parapini… - Journal of Medicinal …, 2017 - ACS Publications

Effect of Imperatorin in Neuropathology of Parkinson's Disease: An In Silico Study
KM Varier, S Thangarajan, A Chinnasamy -

M Arshad, M Shadab -

Estimation of plasma protein binding of selected antipsychotics using computed molecular properties
JD Berić, RM Jelić, DM Nešić… - Archives of Biological …, 2017 -

Potential of the chlorogenic acid as multitarget agent: Insulin-secretagogue and PPAR α/γ dual agonist
MB Sanchez, E Miranda-Perez, JCG Verjan… - Biomedicine & …, 2017 - Elsevier

In silico assessment of the druggability of two novel germacranolides isolated from Capparis decidua (Forsk.) as carbonic anhydrase II inhibitors
MA Mohamed, AI Dirar, MAA Elbadawi… - Journal of Applied …, 2017 -

3-Substituted Thietane-1, 1-Dioxides: Synthesis, Antidepressant Activity, and in Silico Prediction of Their Pharmacokinetic and Toxicological Properties
EÉ Klen, IL Nikitina, NN Makarova… - Pharmaceutical …, 2017 - Springer

In vitro assessment of the growth and plasma membrane H+‐ATPase inhibitory activity of ebselen and structurally related selenium‐and sulfur‐containing compounds …
NN Orie, AR Warren, J Basaric… - … of biochemical and …, 2017 - Wiley Online Library

Ethyl Iso-allocholate from a Medicinal Rice Karungkavuni Inhibits Dihydropteroate Synthase in Escherichia coli: A Molecular Docking and Dynamics Study
K Malathi, S Ramaiah - Indian Journal of Pharmaceutical Sciences, 2017 -

Synthesis, Characterization, Biological evaluation and Computational study for Prediction of Molecular Properties of Some Novel N-{(1, 3-benzo [d] thiazol-2-yl) …
PM Wanjari, AV Bharati, VN Ingle -

Design, synthesis, and evaluation of pyrazolo-pyrazole derivatives on Methylisocitratelyase of Pseudomonas aeruginosa: in silico and in vitro study
M Pulaganti, CS Kumar - Journal of Biomolecular Structure and …, 2017 - Taylor & Francis

Discovery of Therapeutic Lead Molecule Against β-Tubulin Using Computational Approach
K Ramanathan, K Verma, N Gupta… - Interdisciplinary Sciences …, 2017 - Springer

Synteza, analiza spektroskopowa oraz ocena aktywności biologicznej nowych pochodnych kofeiny
A Sierakowska - 2017 -

Synteza, analiza spektroskopowa oraz ocena aktywności biologicznej nowych pochodnych graminy
W Kozanecka-Okupnik - 2017 -

R Codd -

Long chain 1-acyl-3-arylthioureas as jack bean urease inhibitors, synthesis, kinetic mechanism and molecular docking studies
A Saeed, S Rehman, PA Channar, FA Larik… - Journal of the Taiwan …, 2017 - Elsevier

In silico molecular docking and pharmacokinetic prediction of gallic acid derivatives as PPAR-γ Agonists
B Variya, S Modi, J Savjani, S Patel - International Journal of …, 2017 -

Discerning the composition of penetratin for safe penetration from cornea to retina
K Jiang, X Gao, Q Shen, C Zhan, Y Zhang, C Xie… - Acta biomaterialia, 2017 - Elsevier

Hydrophobic Ion Pairing of Peptide Antibiotics for Processing into Controlled Release Nanocarrier Formulations
HD Lu, P Rummaneethorn, KD Ristroph… - Molecular …, 2017 - ACS Publications

UDC 615.1 А43
ТВ Крутських, СЮ Данильченко - 2017 -


In silico Molecular Docking studies to investigate interactions of natural Camptothecin molecule with diabetic enzymes
J Suganya, T Viswanathan, M Radha… - Research Journal of …, 2017 -

Assessment of the pharmacokinetic profile of novel s-triazine derivatives and their potential use in treatment of Alzheimer's disease
J Trifunović, V Borčić, S Vukmirović, M Mikov - Life sciences, 2017 - Elsevier

Anti-plasmodial and chloroquine resistance suppressive effects of embelin
OI Zaid, RA Majid, MS Hasidah… - Pharmacognosy …, 2017 -

Design, Synthesis and Molecular Properties Prediction of Novel Quinazoline Derivatives as Potent Antibacterial Agents.
SV Eswararao, V Venkataramireddy… - Asian Journal of …, 2017 -

Structural Interactions of Curcumin Biotransformed Molecules with the N-Terminal Residues of Cytotoxic-Associated Gene A Protein Provide Insights into Suppression …
AK Srivastava, D Singh, BK Roy - … Sciences: Computational Life Sciences, 2017 - Springer

New indole-based chalconoids as tubulin-targeting antiproliferative agents
H Mirzaei, M Shokrzadeh, M Modanloo, A Ziar… - Bioorganic …, 2017 - Elsevier

Theoretical insights into the mechanism of ferroptosis suppression via inactivation of a lipid peroxide radical by liproxstatin-1
X Sheng, C Shan, J Liu, J Yang, B Sun… - Physical Chemistry …, 2017 -

Antihypertensive and vasodilator effects of methanolic extract of Inula viscosa: Biological evaluation and POM analysis of cynarin, chlorogenic acid as potential …
Z Hakkou, A Maciuk, V Leblais, NE Bouanani… - Biomedicine & …, 2017 - Elsevier

In Silico Assessment of Drug-Like Properties of Phytocannabinoids in Cannabis Sativa (1-7)
S Desa, A Osman, R Hyslop - EDUCATUM Journal of Science …, 2017 -

Design, synthesis, chemical and biological evaluation of brain targeted alkylating agent using reversible redox prodrug approach
RK Singh, DN Prasad, TR Bhardwaj - Arabian Journal of Chemistry, 2017 - Elsevier

Rational tuning of visual cycle modulator pharmacodynamics
PD Kiser, J Zhang, M Badiee, J Kinoshita… - … of Pharmacology and …, 2017 - ASPET

Stereoselective synthesis of enantiopure N-substituted pyrrolidin-2, 5-dione derivatives by 1, 3-dipolar cycloaddition and assessment of their in vitro antioxidant and …
S Ghannay, S Bakari, A Ghabi, A Kadri… - Bioorganic & medicinal …, 2017 - Elsevier

Antiproliferative Evaluation and Docking Study of Synthesized Biscoumarin Derivatives
M Samija, V Elma, O Amar, Đ Jasmina, N Haris… - CMBEBIH 2017, 2017 - Springer

41PDevelopment of novel 1, 2, 4-triazole-thiol derivatives as dual PI3K/mTOR inhibitor against the non-small cell lung cancer (NSCLC)
A Verma, V Kumar, UP Singh - Annals of Oncology, 2017 -

Pharmacoinformatics, adaptive evolution, and elucidation of six novel compounds for schizophrenia treatment by targeting DAOA (G72) isoforms
SA Sehgal - BioMed Research International, 2017 -

Designing, synthesis, and antimicrobial action of oxazoline and thiazoline derivatives of fatty acid esters
A Ahmad, A Ahmad, R Sudhakar… - Journal of …, 2017 - Taylor & Francis

Identification of a diverse synthetic abietane diterpenoid library and insight into the structure-activity relationships for antibacterial activity
W Hou, G Zhang, Z Luo, D Li, H Ruan, BH Ruan… - Bioorganic & medicinal …, 2017 - Elsevier

Chemometric and QSAR analysis of some thiadiazines as potential antifungal agents
MŽ Karadžić, SZ Kovačević, LR Jevrić… - Acta Periodica …, 2017 -

Synthesis, characterization, POM analysis and antifungal activity of novel heterocyclic chalcone derivatives containing acylated pyrazole
HM Al-Maqtari, J Jamalis, TB Hadda… - Research on Chemical …, 2017 - Springer

Eco-Friendly Synthesis, Characterization, Docking and Anti-Bacterial activity of Mannich Base Substituted Benzimidazoles
R Pavithra, K Hemalatha… - Research Journal of …, 2017 -

Consensus‐based comparison of chromatographic and computationally estimated lipophilicity of benzothiepino[3,2‐c]pyridine derivatives as potential antifungal …
S Šegan, N Božinović, I Opsenica… - Journal of separation …, 2017 - Wiley Online Library

In silico pharmacological and in vitro biological study of novel organotinsorbate
A Gupta, RB Aniyery, A Pathak - INTERNATIONAL JOURNAL OF …, 2017 -

Design, synthesis and in vitro cytotoxicity study of benzodiazepine-mustard conjugates as potential brain anticancer agents
RK Singh, DN Prasad, TR Bhardwaj - Journal of Saudi Chemical Society, 2017 - Elsevier

Evaluación in silico de análogos del Pazopanib para el tratamiento de Glioblastoma en receptores VEGF-2

Microwave-assisted one pot synthesis, characterization, biological evaluation and molecular docking studies of steroidal thiazoles
M Asif, A Ali, A Zafar, M Farhan, H Khanam… - … of Photochemistry and …, 2017 - Elsevier

Pharmacokinetic studies of oxathio-heterocycle fused chalcones
K Okoniewska, MT Konieczny, K Lemke… - European journal of …, 2017 - Springer

Anti‐HIV‐1 Activity Prediction of Novel Gp41 Inhibitors Using Structure‐Based Virtual Screening and Molecular Dynamics Simulation
S Sepehri, L Saghaie, A Fassihi - Molecular informatics, 2017 - Wiley Online Library

M Georgieva, D Tzankova… - CBU International …, 2017 -

Synthesis and DNA‐binding study of imidazole linked thiazolidinone derivatives
JA War, SK Srivastava, SD Srivastava - Luminescence, 2017 - Wiley Online Library

Bufadienolides from Kalanchoe daigremontiana as thrombin inhibitors—in vitro and in silico study
J Kolodziejczyk-Czepas, M Sieradzka… - International journal of …, 2017 - Elsevier

Isolation, characterization and in silico docking studies of synergistic estrogen receptor a anticancer polyphenols from Syzygium alternifolium (Wt.) Walp.
P Yugandhar, KK Kumar, P Neeraja… - Journal of intercultural …, 2017 -

Exploring jolkinol D derivatives to overcome multidrug resistance in cancer
MA Reis, OB Ahmed, G Spengler, J Molnár… - Journal of natural …, 2017 - ACS Publications

Synthesis and properties of 1-(R-adamant-1-yl)-3-(1-propionylpiperidin-4-yl) ureas and 4-({4-[3-(R-adamant-1-yl) ureido] cyclohexyl} oxy) benzoic acids, efficient …
GM Butov, VV Burmistrov, DV Danilov - Russian Chemical Bulletin, 2017 - Springer

Synthesis of Novel Imine Stilbene Analogs Exhibiting Potent Anticancer Activity
R Naini, E Ravikumar, SS Singh… - Anti-Cancer Agents …, 2017 -

Molecular simulation-based combinatorial modeling and antioxidant activities of zingiberaceae family rhizomes
T Usha, S Pradhan, AK Goyal, S Dhivya… - Pharmacognosy …, 2017 -

Modelamiento in silico de la interacción entre Murrayanina (3-formil-1-metoxicarbazol) frente a la enzima Fosfolipasa A2
J Pedroza, ME Orozco-Ugarriza, Y Olivo Martínez -

Synthesis and biological evaluation of quinazolinone-based hydrazones with potential use in Alzheimer's disease
Z Haghighijoo, O Firuzi, B Hemmateenejad… - Bioorganic …, 2017 - Elsevier

NNA Hussein, JR Daddam, EM Prasad, NV Naidu - 2017 -

Design and synthesis of ligand efficient dual inhibitors of janus kinase (JAK) and histone deacetylase (HDAC) based on ruxolitinib and vorinostat
L Yao, N Mustafa, EC Tan, A Poulsen… - Journal of Medicinal …, 2017 - ACS Publications

Synthesis and Antimycobacterial Activity Evaluation of Isatin-derived 3-[(4-aryl-2-thiazolyl]) hydrazone]-1H-indol-2, 3-diones
L Yurttaş, M Ertaş, MY Cankılıç… - ACTA Pharmaceutica …, 2017 -

Isolation, characterization, and in silico, in vitro and in vivo antiulcer studies of isoimperatorin crystallized from Ostericum koreanum
H Raza, Q Abbas, M Hassan, SH Eo… - Pharmaceutical …, 2017 - Taylor & Francis

A molecular dynamics study of components of the ginger (Zingiber officinale) extract inside human acetylcholinesterase: implications for Alzheimer disease
T Cuya, L Baptista… - Journal of Biomolecular …, 2017 - Taylor & Francis

Synthesis, biological screening, POM, and 3D-QSAR analyses of some novel pyrazolic compounds
F Abrigach, Y Karzazi, R Benabbes, M El Youbi… - Medicinal Chemistry …, 2017 - Springer

GP and NPC1 herbal targeted compounds in drug discovery and development–An in silico evidence for Ebola drugs R Logesh R, Parameswaran M, Dhanabal …
P Dhamodaran, S Rajan -

Synthesis, Antimalarial Activity Evaluation and Drug likeness Study of Some New Quinoline-Lawsone Hybrids
A Kashyap, D Chetia, M Rudrapal - Indian Journal of Pharmaceutical …, 2017 -

Antibacterial Activity of Three Synthetic Cyclodidepsipeptides
E Cherneva, D Yancheva, N Anastassova… - ACTA … -

Molecular docking analysis of curcumin analogues against kinase domain of ALK5
S Kandagalla, BS Sharath, BR Bharath… - In silico …, 2017 - Springer

Computational Analysis of Gynura bicolor Bioactive Compounds as Dipeptidyl Peptidase-IV Inhibitor
L Rozano, A Zawawi, M Redha, MA Ahmad… - Advances in …, 2017 -

Potential carcinogenicity predicted by computational toxicity evaluation of thiophosphate pesticides using QSTR/QSCarciAR model
AM Petrescu, G Ilia - Drug and chemical toxicology, 2017 - Taylor & Francis

I Malik, J Muselik, J Csollei - FRESENIUS ENVIRONMENTAL …, 2017 -

Molecular docking, PASS analysis, bioactivity score prediction, synthesis, characterization and biological activity evaluation of a functionalized 2-butanone …
T Khan, S Dixit, R Ahmad, S Raza, I Azad… - Journal of Chemical …, 2017 - Springer

Identification of potential inhibitors against the Zika virus using consensus scoring
AT Onawole, KO Sulaiman, RO Adegoke… - Journal of Molecular …, 2017 - Elsevier

A Husain, SL Khokra, S Seth… - INDONESIAN …, 2017 -

Diseño in silico de inhibidores selectivos de la GSK-3β con actividad quelante para el tratamiento de la enfermedad Alzheimer
HUM Díaz, JLG de los Rios -

Pharmacological assessments of potent A2A receptor antagonist IDPU (1-(7-imino-3-propyl-2, 3-dihydrothiazolo [4, 5-d] pyrimidin-6 (7H)-yl) urea) in rodent model of …
N Kumari, S Agrawal, PM Luthra - Neuroscience letters, 2017 - Elsevier

A comparative study of chromatographic behavior and lipophilicity of selected natural styryl lactones, their derivatives and analogues
MŽ Karadžić, DM Lončar, G Benedeković… - European Journal of …, 2017 - Elsevier

Synthesis, molecular docking studies of coumarinyl-pyrazolinyl substituted thiazoles as non-competitive inhibitors of mushroom tyrosinase
A Saeed, PA Mahesar, PA Channar, Q Abbas… - Bioorganic …, 2017 - Elsevier

Discovery of novel DAPY-IAS hybrid derivatives as potential HIV-1 inhibitors using molecular hybridization based on crystallographic overlays
B Huang, X Wang, X Liu, Z Chen, W Li, S Sun… - Bioorganic & medicinal …, 2017 - Elsevier

Design, Synthesis and Biological Evaluation of a Phenyl Butyric Acid Derivative, N-(4-chlorophenyl)-4-phenylbutanamide: A HDAC6 Inhibitor with Anti-proliferative …
RF Rolando Alberto, SL Yudibeth… - Anti-Cancer Agents …, 2017 -

R Paprocka… - Acta poloniae …, 2017 -

Partitioning of hydrophobic organic contaminants between polymer and lipids for two silicones and low density polyethylene
F Smedes, TP Rusina, H Beeltje, P Mayer - Chemosphere, 2017 - Elsevier

XVI Simposio Latinoaméricano de Farmacobotanica Curitiba, Brasil-9-11 de agosto de 2017
AP Schönell, KAP Diel, B Zanchet, DB Gomes… -

Bioactive compounds from marine Streptomyces sp. VITPSA as therapeutics
S Pooja, T Aditi, SJ Naine, CS Devi - Frontiers in Biology, 2017 - Springer

Property/Activity Relationships and Drug Likeness for Pyrimidine Derivatives as Serine/Threonine Protein Kinase B Inhibitors
S Khamouli, S Belaidi, S Medjahed… - Journal of …, 2017 -

Enzymatic synthesis of 1, 3-dihydroxyphenylacetoyl-sn-glycerol: Optimization by response surface methodology and evaluation of its antioxidant and antibacterial …
N Kharrat, I Aissa, Y Dgachi, F Aloui, F Chabchoub… - Bioorganic …, 2017 - Elsevier

Structure-activity relationship and virtual screening of monosubstituted lamivudine with HIV-1 reverse transcriptase
IE Otuokere, VO Ikpeazu, KK Igwe -

Computational drug designing of newly synthesized triazoles against potential targets of methicillin resistant Staphylococcus aureus.
U Ilyas, R Altaf, S Aun Muhammad… - Pakistan journal of …, 2017 -

In silico design, chemical synthesis and toxicological evaluation of 1, 3-thiazolidine-2, 4-dione derivatives as PPARγ agonists
D Alemán-González-Duhart, F Tamay-Cach… - Regulatory Toxicology …, 2017 - Elsevier

In vitro, in vivo and in silico anti-hyperglycemic inhibition by sinigrin
Q Abbas, M Hassan, H Raza, SJ Kim, KW Chung… - Asian Pacific journal of …, 2017 - Elsevier

Synthesis, druglikeness estimation and prediction of possible pharmacological effects of new pyrrole hydrazones
D Tzankova, L Peikova, S Vladimirova… - Scripta Scientifica …, 2017 -

Antioxidative, membrane protective and antiapoptotic effects of melatonin, in silico study of physico-chemical profile and efficiency of nanoliposome delivery …
G Kocic, K Tomovic, H Kocic, D Sokolovic… - RSC Advances, 2017 -

Novel 1-(2-pyrimidin-2-yl) piperazine derivatives as selective monoamine oxidase (MAO)-A inhibitors
B Kaya, L Yurttaş, BN Sağlik, S Levent… - Journal of enzyme …, 2017 - Taylor & Francis

Investigation of the Interaction Between Chalcones with CT-DNA by Molecular Docking, ADMET and Fluorescence Spectroscopy
KK Chaudhary, N Mishra - Proceedings of the National Academy of …, 2017 - Springer

Quinoline Derivatives
S Baluja - Biol Res -

Molecular docking based screening of a simulated HIF-1 protein model for potential inhibitors
MS Latha, MS Saddala - Bioinformation, 2017 -

Design, Synthesis and Photophysical Property of a Doubly Widened Fused‐Triazolyl‐Phenanthrene Unnatural Nucleoside
SS Bag, SK Das - ChemistrySelect, 2017 - Wiley Online Library

Small differences in structure, a large difference in activity–Comparing a new Ru (II)-3-hydroxyiminoflavanone complex with analogous Ru (II) compounds
M Kasprzak, M Fabijańska, L Chęcińska… - Inorganica Chimica …, 2017 - Elsevier

Computational Exploration in the Electronic Structure Property/Activity Relationships and Multi-Parameter Optimization of 1, 2, 5-Thiadiazole Derivates
Z Sebaa12, N Tchouar, S Belaidi, T Salah… - drug …, 2017 -

Exploring β‐Tubulin Inhibitors from Plant Origin using Computational Approach
K Verma, K Kannan - Phytochemical Analysis, 2017 - Wiley Online Library

Lakohlapljive polarne sastavnice maslinovog ulja kao biomarker kvalitete maslinovog ulja-primjena HSS-GC-FID tehnike
I Bošnjak - 2017 -

Synthesis, pharmacological evaluation, molecular docking and in silico ADMET prediction of nitric oxide releasing biphenyls as anti-inflammatory agents
MG Shinde, SJ Modi, VM Kulkarni - J. Appl. Pharm. Sci, 2017 -

Prediction and mechanism elucidation of analyte retention on phospholipid stationary phases (IAM-HPLC) by in silico calculated physico-chemical descriptors
G Russo, L Grumetto, F Barbato, G Vistoli… - European Journal of …, 2017 - Elsevier

Schinus terebinthifolius: phenolic constituents and in vitro antioxidant, antiproliferative and in vivo anti-inflammatory activities
MM da Silva, EKK Iriguchi, CAL Kassuya… - Revista Brasileira de …, 2017 - Elsevier

In silico drug likeness and in vitro cytotoxic activity of some 3, 5-disubstituted hydantoins and spirohydantoins
BI Nikolova-Mladenova… - BULGARIAN …, 2017 - … LIBRARY 7 NOEMVRI NO 1, SOFIA …

Induction of senescence in cancer cells by 5′-aza-2′-deoxycytidine: bioinformatics and experimental insights to its targets
JF Putri, N Widodo, K Sakamoto, SC Kaul… - … biology and chemistry, 2017 - Elsevier

Synthesis and antimicrobial activity of Bis–Derivatives of 3a′, 6a′ Dihydro–2'H–Spiro [Indole–3, 1'–Pyrrolo [3, 4–c] Pyrrole]–2, 4', 6'(1H, 3'H, 5'H)–Trione
RG Redkin, EI Syumka, LA Shemchuk… - Journal of Applied …, 2017 -

Design, synthesis and primary biological evaluation of the novel 2-pyridone derivatives as potent non-nucleoside HBV inhibitors
H Jia, Y Song, J Yu, P Zhan, D Rai, X Liang… - European journal of …, 2017 - Elsevier

Design and drug-like properties of new 5-methoxysalicylaldehyde based hydrazones with anti-breast cancer activity
B Nikolova-Mladenova, G Momekov, D Ivanov… - Journal of Applied …, 2017 - Elsevier

Design, synthesis and evaluation of 5-substituted 1-H-tetrazoles as potent anticonvulsant agents
AM Liao, T Wang, B Cai, Y Jin, S Cheon… - Archives of pharmacal …, 2017 - Springer

Антоцианы плодов винограда: идентификация в условиях градиентной ВЭЖХ и разделение методом флэш-хроматографии
СЛ Макаревич, ВИ Дейнека, АН Чулков… - Сорбционные и …, 2017 -

History of EPI Suite™ and future perspectives on chemical property estimation in US Toxic Substances Control Act new chemical risk assessments
ML Card, V Gomez-Alvarez, WH Lee… - … Science: Processes & …, 2017 -

A new guanylhydrazone derivative as a potential acetylcholinesterase inhibitor for Alzheimer's disease: synthesis, molecular docking, biological evaluation …
DCF Neto, M de Souza Ferreira… - RSC Advances, 2017 -

Design, Synthesis and Cytotoxicity Evaluation of Structural Analogues of Imatinib
A Faryna, E Kalinichenko, O Avdoshko… - Journal of Drug Design …, 2017 -

Diseño basado en quimioinformática y estudios de acoplamiento molecular de análogos de Clorpromazina para disminuir los efectos secundarios en el …

Diseño de inhibidores de la C-14 alfadesmetilasa (CYP51) basado en métodos quimioinformáticos y acoplamiento molecular para el tratamiento de la …
MGC Itzel, RPJ Luis, LMM Antonio -

Antibacterial and Antitubercular Activities of Cinnamylideneacetophenones
CR Polaquini, GS Torrezan, VR Santos, AC Nazaré… - Molecules, 2017 -

Aminoquinoline‐Pyrimidine‐Modified Anilines: Synthesis, In Vitro Antiplasmodial Activity, Cytotoxicity, Mechanistic Studies and ADME Predictions
M Tripathi, SI Khan, P Ponnan, R Kholiya… - …, 2017 - Wiley Online Library

Cytosolic Delivery of Proteins by Bioreversible Esterification
KA Mix, JE Lomax, RT Raines - Journal of the American Chemical …, 2017 - ACS Publications

Development of antibacterial conjugates using sulfamethoxazole with monocyclic terpenes: A systematic medicinal chemistry based computational approach
SS Swain, SK Paidesetty, RN Padhy - Computer methods and programs in …, 2017 - Elsevier

M Soujanya, G Rajitha - INTERNATIONAL JOURNAL OF …, 2017 -

Towards a fragment-based approach in gelator design: halogen effects leading to thixotropic, mouldable and self-healing systems in aryl-triazolyl amino acid-based …
BK Srivastava, MK Manheri - Chemical Communications, 2017 -

Synthesis and biological evaluation of deferiprone-resveratrol hybrids as antioxidants, Aβ1–42 aggregation inhibitors and metal-chelating agents for Alzheimer's …
P Xu, M Zhang, R Sheng, Y Ma - European journal of medicinal chemistry, 2017 - Elsevier

Identification and characterization of ErbB4 kinase inhibitors for effective breast cancer therapy
A Sahu, PK Patra, MK Yadav… - Journal of Receptors and …, 2017 - Taylor & Francis

Design, synthesis and biological evaluation of 1, 3, 4-oxadiazoles as promising anti-inflammatory agents
VB Iyer, B Gurupadayya, VS Koganti, B Inturi… - Medicinal Chemistry …, 2017 - Springer

In silico prediction of the toxic potential of lupeol
MA Ruiz-Rodríguez, A Vedani… - Chemical research in …, 2017 - ACS Publications

Migration of oligomers from PET: determination of diffusion coefficients and comparison of experimental versus modelled migration
M Hoppe, R Fornari, P de Voogt… - Food Additives & …, 2017 - Taylor & Francis

Ultrashort self‐assembling Fmoc‐peptide gelators for anti‐infective biomaterial applications
AP McCloskey, ER Draper, BF Gilmore… - Journal of Peptide …, 2017 - Wiley Online Library

Chemometrics approach based on chromatographic behavior, in silico characterization and molecular docking study of steroid analogs with biomedical importance
MŽ Karadžić, LR Jevrić, AI Mandić, SL Markov… - European Journal of …, 2017 - Elsevier

Degradation of doxorubicin to non-toxic metabolites using Fe-Ni bimetallic nanoparticles
BS Kadu, KD Wani, R Kaul-Ghanekar… - Chemical Engineering …, 2017 - Elsevier

Design and Synthesis of New Benzothiazole Compounds as Selective hMAO-B Inhibitors
S Ilgın, D Osmaniye, S Levent, BN Sağlık, U Acar Çevik… - Molecules, 2017 -

An insight into tetrahydro-β-carboline–tetrazole hybrids: synthesis and bioevaluation as potent antileishmanial agents
P Purohit, AK Pandey, D Singh, PS Chouhan… - …, 2017 -

Antileishmanial evaluation of clubbed bis (indolyl)-pyridine derivatives: One-pot synthesis, in vitro biological evaluations and in silico ADME prediction
FAK Khan, Z Zaheer, JN Sangshetti, RH Patil… - Bioorganic & medicinal …, 2017 - Elsevier

In silico estimation of basic activity-relevant parameters for a set of drug absorption promoters
A Bak, V Kozik, A Smolinski… - SAR and QSAR in …, 2017 - Taylor & Francis

NuBBE DB: an updated database to uncover chemical and biological information from Brazilian biodiversity
AC Pilon, M Valli, AC Dametto, MEF Pinto, RT Freire… - Scientific Reports, 2017 -

Prediction of the adsorption capacities for four typical organic pollutants on activated carbons in natural waters
W Bunmahotama, WN Hung, TF Lin - Water research, 2017 - Elsevier

Antibacterial activity, computational analysis and host toxicity study of thymol-sulfonamide conjugates
SS Swain, SK Paidesetty, RN Padhy - Biomedicine & Pharmacotherapy, 2017 - Elsevier

Targeted Molecular Dynamics to determine Focal Adhesion Targeting Domain Folding Intermediates
P Mohanty, S Bhatnagar - NGBT conference; Oct, 2017 -

Identification of new snake venom zinc Metalloproteinase inhibitor using docking studies from Plectanthus amboinicus
S Sivakumar, P Manju - Asian Journal of Research in …, 2017 -

Identify the Bioactivity of Flavonoids in Erythrina Varigata Leaves Extracts Using the Pass Method
A Chandramohan - 2017 -

MS Harika, TR Kumar, LSS Reddy - International Journal of …, 2017 -

Computational Methods of Drug Designing and Docking studies of Synthesized Derivatives of 5-substiuted-1, 3, 4-Thidiazole-2-amine
S Kadam, GM Nazeruddin - 2017 -

In Silico Evaluation of Heterocyclic-2-Carboxylic Acid (3-Cyano-1, 4-di-Noxidequinoxalin-2-yl) amide Derivatives of Experimental in vitro Trypanosoma cruzi
V Batra, VH Masand, AA Nerkar, DT Mahajan -

Pyrimidinylacetamide-based 2-pyridylureas as Angiogenesis Inhibitors: Design, Synthesis and Biological Evaluation
Y Deng, Z Yan, J Liu, Y Liu, L Sun - Archives of medical research, 2017 - Elsevier

In silico identification of newer potential spleen tyrosine kinase and protein arginine deiminase 4 inhibitors as potent antirheumatoid arthritic agents
R Priyadharsini, T Kalaivani, M Keerthana… - Journal of Pharmacy …, 2017 -

Biological Activities of Novel Derivatives of Differentiation-Inducing Factor 3 from Dictyostelium discoideum
K Takahashi, H Kikuchi, VH Nguyen… - Biological and …, 2017 -

Synthesis, characterization, anti-ulcer action and molecular docking evaluation of novel benzimidazole-pyrazole hybrids
A Noor, NG Qazi, H Nadeem, A Khan… - Chemistry Central …, 2017 - Springer

Docking studies on novel bisphenylbenzimidazoles (BPBIs) as non-nucleoside inhibitors of HIV-1 reverse transcriptase
M Yadav, A Singh, RK Singh - 2017 -

Bazı taurinamit türevi bileşiklerin sentezi ve antimikrobiyel etkileri
Ö Akgül, İ Öztürk, A Aygül, Ş Ermertcan - Marmara Pharmaceutical Journal -

De novo Design and in-silico Studies of Coumarin Derivatives as Inhibitors of Cyclin Dependent Kinase-2
A Sharma, B Pallavi, R Banerjee… - Journal of …, 2017 -

Anticancer Ru (η6-p-cymene) complexes of 2-pyridinecarbothioamides: A structure–activity relationship study
J Arshad, M Hanif, S Movassaghi, M Kubanik… - Journal of inorganic …, 2017 - Elsevier

Bile acids and their oxo derivatives: environmentally safe materials for drug design and delivery
J Trifunović, V Borčić, S Vukmirović… - Drug and chemical …, 2017 - Taylor & Francis

Lipophilicity estimation and characterization of selected steroid derivatives of biomedical importance applying RP HPLC
LR Jevrić, MŽ Karadžić, AI Mandić… - … of pharmaceutical and …, 2017 - Elsevier

Inhibitory growth evaluation and apoptosis induction in MCF-7 cancer cells by new 5-aryl-2-butylthio-1, 3, 4-oxadiazole derivatives
R Khanam, K Ahmad, II Hejazi, IA Siddique… - Cancer chemotherapy …, 2017 - Springer

The characteristics of interactions of pharmaceuticals and their active ingredients with lipid membranes
AO Sadchenko, OV Vashchenko, AY Puhovkin… - Biophysics, 2017 - Springer

An Overview on Diversity Oriented Synthesis, Such as an Enormous Implications for the Discovery of Small Molecules.
AK Dash, D Mukherjee -

Click-on fluorescent triazolyl coumarin peptidomimetics as inhibitors of human breast cancer cell line MCF-7
P Thasnim, D Bahulayan - New Journal of Chemistry, 2017 -

2‐Benzamido‐4‐methylthiazole‐5‐carboxylic Acid Derivatives as Potential Xanthine Oxidase Inhibitors and Free Radical Scavengers
MR Ali, S Kumar, O Afzal, N Shalmali, W Ali… - Archiv der …, 2017 - Wiley Online Library

Design, synthesis, and anticonvulsant activity of some derivatives of xanthone with aminoalkanol moieties
AM Waszkielewicz, K Słoczyńska… - Chemical biology & …, 2017 - Wiley Online Library

Spectroscopic, electrochemical, docking and molecular dynamics studies on the interaction of three oxovanadium (IV) Schiff base complexes with bovine serum …
M Amiri, D Ajloo, M Fazli, A Mokhtarieh… - Journal of …, 2017 - Taylor & Francis

Novel 4-thiazolidinone derivatives as agonists of benzodiazepine receptors: Design, synthesis and pharmacological evaluation
M Faizi, R Jahani, SA Ebadi, SA Tabatabai… - EXCLI …, 2017 -

Rational design and synthesis of 2-anilinopyridinyl-benzothiazole Schiff bases as antimitotic agents
TB Shaik, SMA Hussaini, VL Nayak… - Bioorganic & medicinal …, 2017 - Elsevier

A validated UPLC–MS/MS method for the analysis of linezolid and a novel oxazolidinone derivative (PH027) in plasma and its application to tissue distribution study in …
MA Hedaya, V Thomas, ME Abdel-Hamid… - … of Chromatography B, 2017 - Elsevier

Synthesis, characterization and biological evaluation of thioureas, acylthioureas and 4-thiazolidinones as anticancer and antiviral agents
N Kulabaş, Ö Bingöl Özakpınar, D Özsavcı, P Leyssen… - 2017 -

Amino-and chloro-8-hydroxyquinolines and their copper complexes as proteasome inhibitors and antiproliferative agents
V Oliveri, V Lanza, D Milardi, M Viale, I Maric… - Metallomics, 2017 -

Docosahexaenoic acid: one molecule diverse functions
M Hashimoto, S Hossain, A Al Mamun… - Critical reviews in …, 2017 - Taylor & Francis

USF Tambunan, AA Parikesit, F Wardani… -

Suppressing effect of COR659 on alcohol, sucrose, and chocolate self-administration in rats: involvement of the GABAB and cannabinoid CB1 receptors
P Maccioni, G Colombo, I Lorrai, A Zaru, MAM Carai… - …, 2017 - Springer

Bile acids and their oxo derivatives: Potential inhibitors of carbonic anhydrase I and II, androgen receptor antagonists and CYP3A4 substrates
J Trifunović, V Borčić, M Mikov - Biomedical Chromatography, 2017 - Wiley Online Library

Recent development in synthesis and biological application of organotin complexes
N Jaiswal, RK Dubey - Asian Journal of Research in Chemistry, 2017 -

Structural basis for differential activities of enantiomeric PPARγ agonists: binding of S35 to the alternate site
JY Jang, M Koh, H Bae, DR An, HN Im, HS Kim… - … et Biophysica Acta (BBA …, 2017 - Elsevier

Identification of promising DNA GyrB inhibitors for Tuberculosis using pharmacophore‐based virtual screening, molecular docking and molecular dynamics studies
MA Islam, TS Pillay - Chemical biology & drug design, 2017 - Wiley Online Library

Efficient synthesis and antimicrobial evaluation of 2-((1-substituted-1H-1, 2, 3-triazol-4-yl)-1-naphthaldehydes and their oxime derivatives
P Yadav, K Lal, P Rani, S Mor, A Kumar… - Medicinal Chemistry …, 2017 - Springer

Metabolite Profiling and Antioxidant Potency of Couroupita guianensis Aubl. Using LC-QTOF-MS Based Metabolomics
M Kaneria, K Rakholiya, R Jakasania, R Dave… - Phytochemistry, 2017 -

Derivatives of caffeic acid, a natural antioxidant, as the basis for the discovery of novel nonpeptidic neurotrophic agents
F Moosavi, R Hosseini, H Rajaian, T Silva… - Bioorganic & medicinal …, 2017 - Elsevier

MA ISA, BK MALIK - Int J Pharma Bio Sci, 2017 -

Design, Synthesis and Biological Evaluation of 2-(2-Amino-5 (6)-nitro-1H-benzimidazol-1-yl)-N-arylacetamides as Antiprotozoal Agents
E Hernández-Núñez, H Tlahuext, R Moo-Puc… - Molecules, 2017 -

A small bifunctional chelator that modulates Aβ42 aggregation
C Zhang, LMF Gomes, T Zhang… - Canadian Journal of …, 2017 - NRC Research Press

Isatin-β-thiocarbohydrazones: Microwave-assisted synthesis, antitumor activity and structure-activity relationship
MT Gabr, NS El-Gohary, ER El-Bendary… - European journal of …, 2017 - Elsevier

Fluorescence quenching of a biologically active boronic acid derivative by aniline in different solvents
RM Melavanki - Canadian Journal of Physics, 2017 - NRC Research Press

In silico identification of promiscuous scaffolds as potential inhibitors of 1-deoxy-d-xylulose 5-phosphate reductoisomerase for treatment of Falciparum malaria
A Wadood, M Ghufran, SF Hassan, H Khan… - Pharmaceutical …, 2017 - Taylor & Francis

Virtual screening for novel 1-deoxy-D-xylulose-5-phosphate reductoisomerase inhibitors: A shape-based search approach
P Tangyuenyongwatana… - Thai Journal of …, 2017 -

M Antolković -

Primjena kromatografskih tehnika za predviđanje apsorpcije azatioprina i tiogvanina
M Antolković - 2017 -

Synthesis of bioactive and fluorescent pyridine-triazole-coumarin peptidomimetics through sequential click-multicomponent reactions
TV Soumya, CM Ajmal, D Bahulayan - Bioorganic & medicinal chemistry …, 2017 - Elsevier

Synthesis of new hydrazone derivatives for MAO enzymes inhibitory activity
NÖ Can, D Osmaniye, S Levent, BN Sağlık, B İnci… - Molecules, 2017 -

Tiyoüreler, açiltiyoüreler ve 4-tiyazolidinonların sentezi, karakterizasyonu ve antikanser ve antiviral etkilerinin değerlendirilmesi
N Kulabaş, ÖB Özakpınar, D Özsavcı, P Leyssen… - Marmara … -

Design, synthesis, molecular modeling and anticholinesterase activity of benzylidene-benzofuran-3-ones containing cyclic amine side chain
F Mehrabi, Y Pourshojaei, A Moradi… - Future medicinal …, 2017 - Future Science

Molecular and structural characterization of the tegumental 20.6-kDa protein in Clonorchis sinensis as a potential druggable target
YJ Kim, WG Yoo, MR Lee, JM Kang, BK Na… - International journal of …, 2017 -

Structure-Based Virtual Screening and Drug-Like of Quercetin Derivatives with Anti-Malaria Activity
A Rouane, N Tchouar, A Kerassa… - Reviews in …, 2017 -

Molecular docking and dynamics simulation study of flavonoids as BET bromodomain inhibitors
U Raj, H Kumar, PK Varadwaj - Journal of Biomolecular Structure …, 2017 - Taylor & Francis

EU Nithin, S Joseph, AA Manakadan -

Computational Simulation Studies of Various Flavonoid Subclasses on Treating Non-Small Cell Lung Carcinoma Associated with Cigarette Smoking
A Rajendran, S Martin, R Eso… - Journal of …, 2017 -

Bioactive Coumarins and Xanthones From Calophyllum Genus and Analysis of Their Druglikeness and Toxicological Properties
JC Gómez-Verjan, KD Rodríguez-Hernández… - Studies in Natural …, 2017 - Elsevier

Molecular docking and ADME/T analysis for identification of novel potential COX inhibitors of some isolated compounds from Clausena lansium for analgesic …
A Pathak, S Nahid, AS Manik, K Zahra, FZ Mehjabin… - 2017 -

Synthesis of 2, 5‐Disubstituted‐1, 3, 4‐oxadiazole Derivatives and Their Evaluation as Anticancer and Antimycobacterial Agents
N Polkam, B Kummari, P Rayam, U Brahma… - …, 2017 - Wiley Online Library

Molecular docking and in silico ADMET studies of silibinin and glycyrrhetic acid anti-inflammatory activity
A Malik, A Manan, MU Mirza - Tropical Journal of Pharmaceutical Research, 2017 -

Design, Synthesis and mechanistic Insights into COX-2 selective drugs.
P Prasher, M Singh - Chemistry & Biology Interface, 2017 -

Hypoxia PET imaging techniques: data acquisition and analysis
D Thorwarth, LJ Wack, D Mönnich - Clinical and Translational Imaging, 2017 - Springer

A Computational Approach to Identify a Potential Alternative Drug With Its Positive Impact Toward PMP22
AK Agrahari - Journal of cellular biochemistry, 2017 - Wiley Online Library

Ginger Components as Anti‐Alzheimer Drugs: Focus on Drug Design
F Azam - … Effects of Phytochemicals in Neurological Disorders, 2017 -

Design, synthesis and biological evaluation of phthalimide-alkylamine derivatives as balanced multifunctional cholinesterase and monoamine oxidase-B inhibitors for …
Z Sang, K Wang, H Wang, L Yu, H Wang, Q Ma… - Bioorganic & medicinal …, 2017 - Elsevier

Synthesis, Antioxidant, and Anti‐Inflammatory Evaluation of Novel Thiophene‐Fused Quinoline Based β‐Diketones and Derivatives
P Mahajan, M Nikam, A Asrondkar… - Journal of …, 2017 - Wiley Online Library

Rationally designed benzopyran fused isoxazolidines and derived β2,3,3-amino alcohols as potent analgesics: Synthesis, biological evaluation and molecular …
G Singh, G Singh, R Bhatti, V Gupta, A Mahajan… - European journal of …, 2017 - Elsevier

DNA interaction, antioxidant and in vitro cytotoxic activities of some mononuclear metal (II) complexes of a bishydrazone ligand
CJ Dhanaraj, J Johnson - Materials Science and Engineering: C, 2017 - Elsevier

Synthesis, characterization, antimicrobial and computational studies of some sulfonamide derivatives possessing thiadiazole and indole nucleus
M Arshad - European Journal of Pharmaceutical and Medical …, 2017 -

Design, synthesis and biological evaluation of 2-acetyl-5-O-(amino-alkyl) phenol derivatives as multifunctional agents for the treatment of Alzheimer's disease
Z Sang, K Wang, H Wang, H Wang, Q Ma, X Han… - Bioorganic & medicinal …, 2017 - Elsevier

Malvidin 3-Glucoside–Fatty Acid Conjugates: From Hydrophilic toward Novel Lipophilic Derivatives
L Cruz, M Guimarães, P Araújo, A Évora… - Journal of agricultural …, 2017 - ACS Publications

Chiral lactic hydrazone derivatives as potential bioactive antibacterial agents: Synthesis, spectroscopic, structural and molecular docking studies
N Noshiranzadeh, A Heidari, F Haghi, R Bikas… - Journal of Molecular …, 2017 - Elsevier

Novel Ferulic Acid-donepezil Hybrids as Multifunctional Agents for th e Treatment of Alzheimer's Disease with Butyrylcholinesterase, Amyloid-β, Antioxidant and …
T Li, W Pan, K Wang, W Liu, Q Ma… - Letters in Drug Design & …, 2017 -

In silico virtual screening of PubChem compounds against phosphotransacetylase, a putative drug target for Staphylococcus aureus
PBS Varma, YB Adimulam… - … Biology and Drug …, 2017 -

Active fragments-guided drug discovery and design of selective tropane alkaloids using ultra-high performance liquid chromatography-quadrupole time-of-flight …
M Zhou, X Ma, J Sun, G Ding, Q Cui, Y Miao… - Analytical and …, 2017 - Springer

Design, synthesis and evaluation in an LPS rodent model of neuroinflammation of a novel 18F-labelled PET tracer targeting P2X7
ER Fantoni, D Dal Ben, S Falzoni, F Di Virgilio… - EJNMMI research, 2017 - Springer

In silico design, synthesis, DFT and Antimicrobial evaluation of some 2, 5 substituted 1, 3, 4, Oxadiazole derivatives
K Kannan, N Zulfareen, S Gnanvel - Moroccan Journal of Chemistry -

S Kavitha, K Kannan, N Zulfareen… - MOROCCAN …, 2017 -

Chromatographic lipophilicity and pharmacokinetic behavior of some newly synthesized styryl lactone stereoisomers
DМ Lоnčаr, NP Мilоšеvić, JS Vitas… - Acta Periodica …, 2017 -

Rhamnolipid CMC prediction
IE Kłosowska-Chomiczewska, K Mędrzycka… - Journal of colloid and …, 2017 - Elsevier

Suitability of E-tongue Sensors to Assess Taste-Masking of Pediatric Liquids by Different Beverages Considering Their Physico-chemical Properties
LI Immohr, C Hedfeld, A Lang… - AAPS PharmSciTech, 2017 - Springer

Synthesis and characterization of some schiff base metal complexes
AK Aghao - 2017 -

Design, Synthesis, and Structure–Activity Relationship of Tetrahydropyrido[4,3-d]pyrimidine Derivatives as Potent Smoothened Antagonists with in Vivo Activity
W Lu, Y Liu, H Ma, J Zheng, S Tian, Z Sun… - ACS chemical …, 2017 - ACS Publications

Cross-Reactivity of Select PEG-Binding Antibodies to Other Polymers Containing a CCO Backbone
J McCallen, J Prybylski, Q Yang… - ACS Biomaterials Science …, 2017 - ACS Publications

Analysis of the retention behavior of selected antipsychotics and their impurities by thin-layer chromatography
S Oljačić, A Arsić, D Obradović, K Nikolić… - JPC-Journal of Planar …, 2017 -

Micropollutants pre‐concentration using adsorption–desorption cycles: application to chlorinated paraffins and alkyl‐phenol derivatives
Y Patiño, E Díaz, S Ordóñez - Journal of Chemical Technology …, 2017 - Wiley Online Library

Multicomponent synthesis of some new (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-dithiocarbamates and their in vitro anti-proliferative activity against CaSki, MDA-MB …
S Laskar, L Sánchez-Sánchez… - Journal of enzyme …, 2017 - Taylor & Francis

New quinoline linked chalcone and pyrazoline conjugates: molecular properties prediction, antimicrobial and antitubercular activities
NS Rao, AB Shaik, SR Routhu, SMA Hussaini… - …, 2017 - Wiley Online Library

Comparative Pharmacokinetic Study for Linezolid and Two Novel Antibacterial Oxazolidinone Derivatives in Rabbits: Can Differences in the Pharmacokinetic …
MA Hedaya, V Thomas, ME Abdel-Hamid, EO Kehinde… - Pharmaceutics, 2017 -

Design, Synthesis and Biological Evaluation of 2‐Anilinopyridyl‐Linked Oxindole Conjugates as Potent Tubulin Polymerisation Inhibitors
F Sultana, SP Shaik, VL Nayak, SMA Hussaini… - …, 2017 - Wiley Online Library

Synthesis, characterization and in vitro antibacterial activity of novel phthalazine sulfonamide derivatives
M Abbasi, SMR Nazifi, ZS Nazifi, AR Massah - Journal of Chemical …, 2017 - Springer

Design, Synthesis and Biological Evaluation of Novel 2‐Phenylthiazole Derivatives for the Treatment of Alzheimer's Disease
DH Shi, Z Tang, YW Liu, JR Harjani, HL Zhu… - …, 2017 - Wiley Online Library

Jack bean urease inhibitors, and antioxidant activity based on palmitic acid derived 1-acyl-3-arylthioureas: synthesis, kinetic mechanism and molecular docking …
A Saeed, PA Channar, FA Larik, Q Abbas… - Drug …, 2017 -

Synthesis and biological evaluation of tanshinone IIA derivatives as novel endothelial protective agents
X Bi, K Zhang, L He, B Gao, Q Gu, X Li… - Future medicinal …, 2017 - Future Science

Design, synthesis and bio-evaluation of piperidines and CGRP peptides; Synthesis of substituted 6-(dimethylamino)-2-phenylisoindolin-1-ones for the inhibition of …
A Gamaralalage, MJ Gunaratna - 2017 -

Prevention, removal and inactivation of Escherichia coli and Staphylococcus aureus biofilms using selected monoterpenes of essential oils
A Borges, JC Lopez‐Romero, D Oliveira… - Journal of applied …, 2017 - Wiley Online Library

Evaluation of the adaptogenic potential exerted by ginsenosides Rb1 and Rg1 against oxidative stress-mediated neurotoxicity in an in vitro neuronal model
C Fernández-Moriano, E González-Burgos, I Iglesias… - PloS one, 2017 -

Choice of Capping Group in Tripeptide Hydrogels Influences Viability in the Three‐Dimensional Cell Culture of Tumor Spheroids
JP Wojciechowski, AD Martin, AF Mason… - …, 2017 - Wiley Online Library

In-silico identification and evaluation of plant flavonoids as dengue NS2B/NS3 protease inhibitors using molecular docking and simulation approach.
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Synthesis and Antimicrobial Activity of Naphthylamine Analogs Having Azetidinone and Thiazolidinone Moiety
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Physicochemical properties of dietary phytochemicals can predict their passive absorption in the human small intestine
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Pharmacological and Toxicological Screening of Novel Benzimidazole-Morpholine Derivatives as Dual-Acting Inhibitors
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Synthesis, Anti‐Inflammatory Activity, and COX‐1/2 Inhibition Profile of Some Novel Non‐Acidic Polysubstituted Pyrazoles and Pyrano[2,3‐c]pyrazoles
HM Faidallah, SAF Rostom - Archiv der Pharmazie, 2017 - Wiley Online Library

Hybrid pharmacophoric approach in the design and synthesis of coumarin linked pyrazolinyl as urease inhibitors, kinetic mechanism and molecular docking
A Saeed, PA Mahesar, PA Channar… - Chemistry & …, 2017 - Wiley Online Library

S Arunachalam, NL Gowrishankar, A Krishnan… - 2017 -

Synthesis of novel coumarin nucleus-based DPA drug-like molecular entity: In vitro DNA/Cu (II) binding, DNA cleavage and pro-oxidant mechanism for …
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Discovery of FZU-03,010 as a self-assembling anticancer amphiphile for acute myeloid leukemia
Y Chen, C Li, Y Zheng, Y Gao, J Hu, H Chen - Bioorganic & medicinal …, 2017 - Elsevier

The Therapeutic Effect of the Antitumor Drug 11 Beta and Related Molecules on Polycystic Kidney Disease
S Somlo, S Fedeles - 2017 -

Structural Pharmacokinetics of Polymethoxylated Flavones in Rat Plasma Using HPLC-MS/MS
JT Huang, YY Cheng, LC Lin… - Journal of agricultural and …, 2017 - ACS Publications

Synthesis and characterization of some novel aryl and heteroaryl chalcone derivatives of 3-(3, 4, 5-trimethoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde for …
CK Prasad, PVS Machiraju - Russian Journal of General Chemistry, 2017 - Springer

The Therapeutic Effect of the Antitumor Drug 11beta and Related Molecules on Polycystic Kidney Disease
J Essigmann, R Croy, B Fedeles - 2017 -

Design, synthesis, kinetic mechanism and molecular docking studies of novel 1-pentanoyl-3-arylthioureas as inhibitors of mushroom tyrosinase and free radical …
FA Larik, A Saeed, PA Channar, U Muqadar… - European journal of …, 2017 - Elsevier

Modular Bi‐Directional One‐Pot Strategies for the Diastereoselective Synthesis of Structurally Diverse Collections of Constrained β‐Carboline‐Benzoxazepines
V Srinivasulu, R Mazitschek, NM Kariem… - … A European Journal, 2017 - Wiley Online Library

Target identification, lead optimization and antitumor evaluation of some new 1, 2, 4-triazines as c-Met kinase inhibitors
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Farmakokinetički parametri azatioprina-in silico pristup
V Hil - 2017 -

Development of highly potent melanogenesis inhibitor by in vitro, in vivo and computational studies
Q Abbas, Z Ashraf, M Hassan, H Nadeem… - Drug design …, 2017 -

N-(2-(arylmethylimino) ethyl)-7-chloroquinolin-4-amine derivatives, synthesized by thermal and ultrasonic means, are endowed with anti-Zika virus activity
G Barbosa-Lima, LS da Silveira Pinto, CR Kaiser… - European journal of …, 2017 - Elsevier

Novel methylselenoesters as antiproliferative agents
N Díaz-Argelich, I Encío, D Plano, AP Fernandes… - Molecules, 2017 -

Thiazole‐Based σ1 Receptor Ligands: Diversity by Late‐Stage C−H Arylation of Thiazoles, Structure–Affinity and Selectivity Relationships, and Molecular Interactions
AK Kokornaczyk, D Schepmann, J Yamaguchi… - …, 2017 - Wiley Online Library

Synthesis and biological evaluation of 1, 3, 4-trisubstituted pyrazole analogues as anti-mycobacterial agents
SG Alegaon, MB Hirpara, KR Alagawadi… - Medicinal Chemistry …, 2017 - Springer

Microwave-assisted synthesis and antitumor evaluation of a new series of thiazolylcoumarin derivatives
MT Gabr, NS El-Gohary, ER El-Bendary… - EXCLI …, 2017 -

New Methods of Esterification of Nanodiamonds in Fighting Breast Cancer—A Density Functional Theory Approach
LL Landeros-Martinez, D Glossman-Mitnik… - Molecules, 2017 -

Nanoparticle Fullerene (C60) demonstrated stable binding with antibacterial potential towards probable targets of drug resistant Salmonella typhi – a computational perspective …
S Skariyachan, A Parveen, S Garka - Journal of Biomolecular …, 2017 - Taylor & Francis

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N-(Hetero)aryl-2-imidazolines: an emerging privileged motif for contemporary drug design
M Krasavin - Chemistry of Heterocyclic Compounds, 2017 - Springer

Haemolytic activity of formyl-and acetyl-derivatives of bile acids and their gramine salts
W Kozanecka-Okupnik, B Jasiewicz, T Pospieszny… - Steroids, 2017 - Elsevier

Novel 6-phenylnicotinohydrazide derivatives: design, synthesis and biological evaluation as a novel class of antitubercular and antimicrobial agents
DH Soliman, WM Eldehna, HA Ghabbour… - Biological and …, 2017 -

Significance of active site volume mutations in redefining the catalytic specifity of styrene monooxygenase
P Truong - 2017 -

Synthesis of amide isosteres of schweinfurthin-based stilbenes
DP Stockdale, JA Beutler, DF Wiemer - Bioorganic & medicinal chemistry, 2017 - Elsevier

MAO enzymes inhibitory activity of new benzimidazole derivatives including hydrazone and propargyl side chains
ÖD Can, D Osmaniye, ÜD Özkay, BN Sağlık… - European journal of …, 2017 - Elsevier

EJ Cerqueira - Anais Seminário de Iniciação Científica, 2017 -

Прогнозування фармакокінетичного профілю нових N-морфоліновмісних тіосечови
ЛО Перехода, ЗГ Єрьоміна, ГО Єрьоміна, ОВ Кізь… - 2017 -

Hydrophilicity Regulates Specific Protein Adsorption on Poly (phosphoester) Coated Nanocarriers Controlling Uptake in Immune Cells.
T Wolf - Poly (phosphonate) s: Versatile Polymers for … -

Quinoline-azetidinone hybrids: Synthesis and in vitro antiproliferation activity against Hep G2 and Hep 3B human cell lines
SG Alegaon, P Parchure, LD Araujo, PS Salve… - Bioorganic & medicinal …, 2017 - Elsevier

Synthesis and antimicrobial activity of some taurinamide derivatives
Ö Akgül, İ Öztürk, A Aygül, Ş Ermertcan - 2017 -

Synthesis and antinociceptive activities of some novel benzimidazole-piperidine derivatives
ÜD ÖZKAY, ÖD CAN, N Turan… - Turkish Journal of …, 2017 -

Cinnamaldehyde, cinnamic acid, and cinnamyl alcohol, the bioactives of Cinnamomum cassia exhibit HDAC8 inhibitory activity: An In vitro and In silico study
M Patil, AS Choudhari, S Pandita, MA Islam… - Pharmacognosy …, 2017 -

High‐performance liquid chromatography thermodynamic study of new potential antiepileptic compounds on a cholesterol column using isocratic elution with …
J Flieger, H Trębacz, M Pizoń… - Journal of separation …, 2017 - Wiley Online Library

Hydroxypyridinone and 5-Aminolaevulinic Acid Conjugates for Photodynamic Therapy
S Battah, RC Hider, AJ MacRobert… - Journal of medicinal …, 2017 - ACS Publications

Angular Phenozaxine Ethers as Potent Multi-microbial Targets Inhibitors: Design, Synthesis, and Molecular Docking Studies
MA Ezeokonkwo, ON Ogbonna, SN Okafor… - Frontiers in …, 2017 -

Nitroimidazole derivatives of polypyridyl ruthenium complexes: Towards understanding their anticancer activity and mode of action
O Mazuryk, O Krysiak-Foria, A Żak, F Suzenet… - European Journal of …, 2017 - Elsevier

Novel O‐Alkylated Chromones as Antimicrobial Agents: Ultrasound Mediated Synthesis, Molecular Docking and ADME Prediction
VS Dofe, AP Sarkate, DK Lokwani… - Journal of …, 2017 - Wiley Online Library

Oxidative Cyclization of Isoniazid with Fluoroquinolones: Synthesis, Antibacterial and Antitubercular Activity of New 2, 5‐disubstituted‐1, 3, 4‐Oxadiazoles
SA Khan, P Ahuja, A Husain - Journal of the Chinese Chemical …, 2017 - Wiley Online Library

“MCR-Click” synthesis of coumarin-tagged macrocycles with large Stokes shift values and cytotoxicity against human breast cancer cell line MCF-7
PJ Raj, D Bahulayan - Tetrahedron Letters, 2017 - Elsevier

Synthesis, Molecular Properties Estimations, and Dual Dopamine D2 and D3 Receptor Activities of Benzothiazole-Based Ligands
M Schübler, B Sadek, T Kottke, L Weizel… - Frontiers in …, 2017 -

In silico study of the pharmacologic properties and cytotoxicity pathways in cancer cells of various indolylquinone analogues of perezone
R Escobedo-González, CL Vargas-Requena… - Molecules, 2017 -

A DFT Investigation of the Influence of Α, Β Unsaturation in Chemical Reactivity of Coumarin and Some Hydroxy Coumarins
K Muraleedharan, TM Suhara… - … Methodology in Structural …, 2017 -

Computational analysis in Influenza virus
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In silico prediction of anticonvulsant activity of N-(2, 2, 2-trichloro-1-hydroxyethyl) alkylcarboxamides
PV Zadorozhnii, VV Kiselev, IO Pokotylo… - J Chem Pharmaceut …, 2017 -

Diverse C-6 substituted 4-methyl-2-(2-, 3-and 4-pyridinyl) quinolines: synthesis, in vitro anticancer evaluation and in silico studies
VV Kouznetsov, ML Robles-Castellanos, F Sojo… - Medicinal Chemistry …, 2017 - Springer

Substituent Dependence Charge Transfer and Photochemical Properties of Donor-Acceptor Substituted Ethenyl Thiophenes
N Kumar, J Kumar, PK Hota - Journal of fluorescence, 2017 - Springer

Synthesis and Biocompatibility Studies of New Iminodiacetic Acid Derivatives
M Markowicz-Piasecka, P Dębski, E Mikiciuk-Olasik… - Molecules, 2017 -

Targeting PTPRZ inhibits stem cell-like properties and tumorigenicity in glioblastoma cells
A Fujikawa, H Sugawara, T Tanaka, M Matsumoto… - Scientific Reports, 2017 -

ERE-dependent transcription and cell proliferation: Independency of these two processes mediated by the introduction of a sulfone function into the weak estrogen …
Y Jacquot, D Spaggiari, J Schappler… - European Journal of …, 2017 - Elsevier

Adamantylated organosilatranes: design, synthesis, and potential appraisal in surface modification and anti-protozoal activity
G Singh, S Rani, S Gawri, S Sinha… - New Journal of Chemistry, 2017 -

Cyanine derivative as a suitable marker for thermosensitive in situ gelling delivery systems: In vitro and in vivo validation of a sustained buccal drug delivery
N Zeng, J Seguin, PL Destruel, G Dumortier… - International journal of …, 2017 - Elsevier

Advances in Computer-Aided Drug Designing
AK Singh - Biotechnology: Recent Trends and Emerging …, 2017 -

Design, synthesis and anticancer activity of new monastrol analogues bearing 1, 3, 4-oxadiazole moiety
FAF Ragab, SM Abou-Seri, SA Abdel-Aziz… - European journal of …, 2017 - Elsevier

New pyridine derivatives as inhibitors of acetylcholinesterase and amyloid aggregation
F Pandolfi, D De Vita, M Bortolami, A Coluccia… - European journal of …, 2017 - Elsevier

Physicochemical characterization of two new Nitazoxanide analogs with antiparasitic activity
A Valladares-Méndez, M García-Flores… - Medicinal Chemistry …, 2017 - Springer

Nanostructured interfacial self-assembled peptide–polymer membranes for enhanced mineralization and cell adhesion
S Ribeiro, E Radvar, Y Shi, J Borges, RP Pirraco… - Nanoscale, 2017 -

Synthesis, structure and properties of N-aminosaccharin – A selective inhibitor of human carbonic anhydrase I
MA Kuznetsov, AN Shestakov, M Zibinsky, M Krasavin… - Tetrahedron letters, 2017 - Elsevier

O Oukil, N Tchouar, S BELAIDI, T Salah… - Rev. Roum …, 2017 -

Solute-triggered morphological transitions of an amphiphilic heterografted brush copolymer as a single-molecule drug carrier
H Luo, M Szymusiak, EA Garcia, LL Lock, H Cui… - …, 2017 - ACS Publications

New hybrid molecules combining benzothiophene or benzofuran with rhodanine as dual COX-1/2 and 5-LOX inhibitors: Synthesis, biological evaluation and docking …
MMM El-Miligy, AA Hazzaa, H El-Messmary… - Bioorganic …, 2017 - Elsevier

Synthesis of new fluoro-benzimidazole derivatives as an approach towards the discovery of novel Intestinal antiseptic drug candidates
U Acar Cevik, B Nurpelin Saglik… - Current …, 2017 -

Design, synthesis, and evaluation of novel 2-phenylpropionic acid derivatives as dual COX inhibitory-antibacterial agents
H Karaca Gençer, U Acar Çevik… - Journal of enzyme …, 2017 - Taylor & Francis

Carvacrol derivatives as mushroom tyrosinase inhibitors; synthesis, kinetics mechanism and molecular docking studies
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Studying of lipophilicity of potential biological active cyanoacetamide derivatives
S Apostolov, Đ Vaštag - Journal of Engineering & Processing …, 2017 -

Eugenol derived immunomodulatory molecules against visceral leishmaniasis
MRC Raja, AB Velappan, D Chellappan… - European journal of …, 2017 - Elsevier

New benzimidazole-1, 2, 4-triazole hybrid compounds: synthesis, anticandidal activity and cytotoxicity evaluation
H Karaca Gençer, U Acar Çevik, S Levent, BN Sağlık… - Molecules, 2017 -

Fabricating Green Mansion for the Synthesis of (2HB) INH and Its Scaffolds: UV-Visible Determinations for Selective Probe towards Co ions
DS Raghuvanshi, NB Shirsath, PP Mahulikar… - 2017 -

Design and Green Synthesis of Thieno [2, 3-d] pyrimidine Analogues as Potential Antiproliferative Agents
R Kaur Gill, V Kumar, M Bishnoi… - Anti-Cancer Agents …, 2017 -

Novel FFA1 (GPR40) agonists containing spirocyclic periphery: polar azine periphery as a driver of potency
M Krasavin, A Lukin, D Bagnyukova… - Journal of enzyme …, 2017 - Taylor & Francis

Dietary phytochemicals promote health by enhancing antioxidant defence in a pig model
SNB Selby-Pham, JJ Cottrell, FR Dunshea, K Ng… - Nutrients, 2017 -

Antioxidant activity of oleuropein and semisynthetic acetyl‐derivatives determined by measuring malondialdehyde in rat brain
M Rizzo, D Ventrice, F Giannetto… - Journal of Pharmacy …, 2017 - Wiley Online Library

Activation of Nrf2-driven antioxidant enzymes by cardamonin confers neuroprotection of PC12 cells against oxidative damage
S Peng, Y Hou, J Yao, J Fang - Food & function, 2017 -

Facile and efficient access to Androsten-17-(1′, 3′, 4′)-pyrazoles and Androst-17β-(1′, 3′, 4′)-pyrazoles via Vilsmeier reagents, and their antiproliferative …
J Li, H Huo, R Guo, B Liu, L Li, W Dan, X Xiao… - European journal of …, 2017 - Elsevier

Anti-tubercular drug discovery: in silico implications and challenges
R Mehra, IA Khan, A Nargotra - European Journal of Pharmaceutical …, 2017 - Elsevier

Synthesis, structure confirmation, identification of in vitro antiproliferative activities and correlation of determined lipophilicity parameters with in silico …
M Sztanke, J Rzymowska, M Janicka… - Arabian Journal of …, 2017 - Elsevier

New insights into the antioxidant and apoptotic potential of Glycyrrhiza glabra L. during hydrogen peroxide mediated oxidative stress: an in vitro and in silico …
II Hejazi, R Khanam, SH Mehdi, AR Bhat… - Biomedicine & …, 2017 - Elsevier

Novel Polyfunctional Pyridines as Anticancer and Antioxidant Agents. Synthesis, Biological Evaluation and in Silico ADME-T Study
MH Badr, SAF Rostom, MF Radwan - Chemical and Pharmaceutical …, 2017 -

New benzothiophene derivatives as dual COX-1/2 and 5-LOX inhibitors: synthesis, biological evaluation and docking study
MMM El-Miligy, AA Hazzaa, H El-Messmary… - Future medicinal …, 2017 - Future Science

R Bairam, SM Muppavarapu, AB Shaik… - INTERNATIONAL …, 2017 -

Experimental and molecular docking investigation on DNA interaction of N‐substituted phthalimides: antibacterial, antioxidant and hemolytic activities
PS Nayab, M Irfan, M Abid, M Pulaganti… - …, 2017 - Wiley Online Library

Difluoromethyl bioisostere: examining the “lipophilic hydrogen bond donor” concept
Y Zafrani, D Yeffet, G Sod-Moriah… - Journal of medicinal …, 2017 - ACS Publications

Synthesis, structural elucidation, antioxidant, CT-DNA binding and molecular docking studies of novel chloroquinoline derivatives: Promising antioxidant and anti …
S Murugavel, CSJP Stephen, R Subashini… - … of Photochemistry and …, 2017 - Elsevier

Orally absorbed cyclic peptides
DS Nielsen, NE Shepherd, W Xu, AJ Lucke… - Chemical …, 2017 - ACS Publications

Synthesis of Chromone-Related Pyrazole Compounds
C Santos, V Silva, A Silva - Molecules, 2017 -

Synthesis and cytotoxic activity of 14-deoxy-12-hydroxyandrographolide analogs
U Sirion, T Kasemsuk, P Piyachaturawat… - Medicinal Chemistry …, 2017 - Springer

Allylic isothiouronium salts: The discovery of a novel class of thiourea analogues with antitumor activity
M Ferreira, LS Assuncao, AH Silva… - European journal of …, 2017 - Elsevier

Electrospun poly-l-lactide scaffold for the controlled and targeted delivery of a synthetically obtained Diclofenac prodrug to treat actinic keratosis
G Piccirillo, B Bochicchio, A Pepe, K Schenke-Layland… - Acta biomaterialia, 2017 - Elsevier

Molecular Docking Studies of Bioactive Compounds from Allium sativum Against EML4-ALK Receptor
R Padmini, R Sitrarasi, M Razia - Research Journal of …, 2017 -

Virtual screening, synthesis of newer heterocycles as ppar [gamma] agonists with antidiabetic activity
R Priyadarsini, V Durga, S Ahmed - Int J Pharm Sci Res, 2017 -

Aromatic Regions Govern the Recognition of NADPH Oxidase Inhibitors as Diapocynin and its Analogues
ME Macías Pérez, M Hernández Rodríguez… - Archiv der …, 2017 - Wiley Online Library

A systematic review of computational drug discovery, development, and repurposing for Ebola virus disease treatment
J Schuler, M Hudson, D Schwartz, R Samudrala - Molecules, 2017 -

Physicochemical and biological evaluation of a cinnamamide derivative R,S‐(2E)‐1‐(3‐hydroxypiperidin‐1‐yl)‐3‐phenylprop‐2‐en‐1‐one (KM‐608) for nervous …
A Gunia‐Krzyżak, E Żesławska… - Chemical biology & …, 2017 - Wiley Online Library

Exploring the first Rimonabant analog-opioid peptide hybrid compound, as bivalent ligand for CB1 and opioid receptors
A Mollica, S Pelliccia, V Famiglini… - Journal of enzyme …, 2017 - Taylor & Francis

.trSynthesis and MAO inhibitory activity of novel thiazole-hydrazones
Ö ATLI, Y ÖZKAY - Turkish Journal of Chemistry, 2017 -

Diseño de ligandos a los receptores muscarínicos M2 y M3 como potenciales fármacos para el tratamiento de la Enfermedad Pulmonar Obstructiva Crónica …
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Novel thermoresponsive water-soluble oligomers based on amphiphilic calixresorcinarenes
YV Shalaeva, JE Morozova, VV Syakaev… - Supramolecular …, 2017 - Taylor & Francis

Antitubercular activity of 1, 2, 3-triazolyl fatty acid derivatives
DG Ghiano, A de la Iglesia, N Liu, PJ Tonge… - European journal of …, 2017 - Elsevier

Ferulic acid reverses depression-like behavior and oxidative stress induced by chronic corticosterone treatment in mice
ALB Zeni, A Camargo, AP Dalmagro - Steroids, 2017 - Elsevier

Click chemistry-based synthesis and anticancer activity evaluation of novel C-14 1, 2, 3-triazole dehydroabietic acid hybrids
W Hou, Z Luo, G Zhang, D Cao, D Li, H Ruan… - European journal of …, 2017 - Elsevier

Synthesis, antimicrobial activity and in silico studies on thymol esters
JS Lazarević, A Kolarević, A Đorđević… - Acta Chimica …, 2017 -

Design, Synthesis and Biological Evaluation of 2-[4-(Aryl substituted) piperazin-1-yl] acetamido-5-chlorobenzophenone Derivatives.
S Verma, S Kumar - Asian Journal of Chemistry, 2017 -

Synthesis of a novel methyl(2E)-2-{[N-(2-formylphenyl)(4-methylbenzene) sulfonamido]methyl}-3-(2-methoxyphenyl)prop-2-enoate: Molecular structure, spectral …
S Murugavel, D Kannan, M Bakthadoss - Journal of Molecular Structure, 2017 - Elsevier

Discovery of new nanomolar inhibitors of GPa: Extension of 2-oxo-1, 2-dihydropyridinyl-3-yl amide-based GPa inhibitors
WA Loughlin, ID Jenkins, ND Karis, PC Healy - European journal of …, 2017 - Elsevier

Synthesis and evaluation of bile acid amides of -cyanostilbenes as anticancer agents
DS Agarwal, RP Singh, K Lohitesh, PN Jha… - Molecular …, 2017 - Springer

Design, Syntheses, and in Vitro Evaluation of New Fluorine-18 Radiolabeled Tau-Labeling Molecular Probes
L Rejc, L Smid, V Kepe, C Podlipnik… - Journal of medicinal …, 2017 - ACS Publications

Calcitox-aging counterbalanced by endogenous farnesol-like sesquiterpenoids: An undervalued evolutionarily ancient key signaling pathway
A De Loof - Communicative & Integrative Biology, 2017 - Taylor & Francis

First principle study of a potential bioactive molecule with tetrahydroisoquinoline, carbothiomide and adamantane scaffolds
MM Al-Shehri, ARA Al-Majed, HI Aljohar… - Journal of Molecular …, 2017 - Elsevier

Synthesis and Biological Evaluation of Novel Fluorinated Tacrine Against Alzheimer's Disease (AD)
CD Obi - 2017 -

Molecular insights into the inhibitory mechanism of rifamycin SV against β2–microglobulin aggregation: A molecular dynamics simulation study
SS Narang, S Shuaib, B Goyal - International journal of biological …, 2017 - Elsevier

RR Meghjibhai - 2017 -

Design, synthesis, anticancer activity and docking studies of theophylline containing 1, 2, 3-triazoles with variant amide derivatives
RR Ruddarraju, AC Murugulla, R Kotla… - …, 2017 -

Taped barrier test for internal bags used in boxes of recycled paperboard: the role of the paperboard and its consequence for the test
S Biedermann‐Brem, M Biedermann… - Packaging Technology …, 2017 - Wiley Online Library

Supramolecular nanoscale systems based on amphiphilic tetramethylensulfonatocalix [4] resorcinarenes and cationic polyelectrolyte with controlled guest molecule …
YV Shalaeva, JE Morozova, VV Syakaev… - Supramolecular …, 2017 - Taylor & Francis

Design and synthesis of 2, 6-di (substituted phenyl) thiazolo [3, 2-b]-1, 2, 4-triazoles as α-glucosidase and α-amylase inhibitors, co-relative Pharmacokinetics and 3D …
PA Channar, A Saeed, FA Larik, S Rashid… - Biomedicine & …, 2017 - Elsevier

Transport rates of dietary phytochemicals in cell monolayers is inversely correlated with absorption kinetics in humans
SNB Selby-Pham, SA Osborne, KS Howell… - Journal of Functional …, 2017 - Elsevier

Design, synthesis and fluorescence property evaluation of blue emitting triazole-linked chromene peptidomimetics
TJ Mohan, D Bahulayan - Molecular diversity, 2017 - Springer

Potential natural mTOR inhibitors screened by in silico approach and suppress hepatic stellate cells activation
V Thiyagarajan, KW Lee, MK Leong… - Journal of Biomolecular …, 2017 - Taylor & Francis

Synthesis and mechanistic evaluation of novel N'-benzylidene-carbohydrazide-1H-pyrazolo [3, 4-b] pyridine derivatives as non-anionic antiplatelet agents
AL Lourenço, RRS Salvador, LA Silva, MS Saito… - European journal of …, 2017 - Elsevier

Acetamide Derivatives of Chromen‐2‐ones as Potent Cholinesterase Inhibitors
S Prasad, B Kumar, S Kumar, K Chand… - Archiv der …, 2017 - Wiley Online Library

Novel Vilazodone–Tacrine Hybrids as Potential Multitarget-Directed Ligands for the Treatment of Alzheimer's Disease Accompanied with Depression: Design …
X Li, H Wang, Y Xu, W Liu, Q Gong… - ACS chemical …, 2017 - ACS Publications

Inhibicija ksantin-oksidaze depsipeptidima i 2-amino-5-alkiliden-tiazol-4-onima
Ž Šmelcerović - 2017 -

Design and synthesis of tranylcypromine derivatives as novel LSD1/HDACs dual inhibitors for cancer treatment
YC Duan, YC Ma, WP Qin, LN Ding, YC Zheng… - European journal of …, 2017 - Elsevier

Preliminary SAR on indole-3-carbinol and related fragments reveals a novel anticancer lead compound against resistant glioblastoma cells
C Sherer, I Tolaymat, F Rowther, T Warr… - Bioorganic & medicinal …, 2017 - Elsevier

Last-Step Pd-Mediated [11C]CO Labeling of a Moxestrol-Conjugated o-Iodobenzyl Alcohol: From Model Experiments to in Vivo Positron Emission Tomography …
T Cornilleau, M Simonsen, M Vang… - Bioconjugate …, 2017 - ACS Publications

Design, synthesis and biological activity of novel donepezil derivatives bearing N-benzyl pyridinium moiety as potent and dual binding site acetylcholinesterase …
JS Lan, T Zhang, Y Liu, J Yang, SS Xie, J Liu… - European journal of …, 2017 - Elsevier

Synthesis and crystal structure of a chiral lactam and three amino alcohols as potential protein tyrosine phosphates 1B inhibitors
ŞÖ Kocakaya, M Karakaplan, R Scopelliti - Tetrahedron: Asymmetry, 2017 - Elsevier

Design, synthesis and anticonvulsant-analgesic activity of new N-[(phenoxy) alkyl]-and N-[(phenoxy) ethoxyethyl] aminoalkanols
A Rapacz, AM Waszkielewicz, K Pańczyk, K Pytka… - …, 2017 -

Discovery of uracil-bearing DAPYs derivatives as novel HIV-1 NNRTIs via crystallographic overlay-based molecular hybridization
H Zhang, Y Tian, D Kang, Z Huo, Z Zhou, H Liu… - European journal of …, 2017 - Elsevier

Arylidene indanone scaffold: medicinal chemistry and structure–activity relationship view
JC Menezes - RSC Advances, 2017 -

Design, Synthesis, and Pharmacological Screening of Pyridazinone Hybrids as Anticonvulsant Agents
S Partap, MS Yar, MZ Hassan, MJ Akhtar… - Archiv der …, 2017 - Wiley Online Library

Role of computational efficiency indices and pose clustering in effective decision making: An example of annulated furanones in Pf-DHFR space
M Kumar, T Kaur, A Sharma - Computational biology and chemistry, 2017 - Elsevier

Synthesis, crystal structure analysis, spectral (NMR, FT-IR, FT-Raman and UV–Vis) investigations, molecular docking studies, antimicrobial studies and quantum …
S Murugavel, S Sundramoorthy, D Lakshmanan… - Journal of Molecular …, 2017 - Elsevier

Identification of a Novel 1,2,3,4-Tetrahydrobenzo[b][1,6]naphthyridine Analogue as a Potent Phosphodiesterase 5 Inhibitor with Improved Aqueous Solubility for the …
J Fiorito, J Vendome, F Saeed… - Journal of medicinal …, 2017 - ACS Publications

Predictive modelling of upper intestinal absorption of dietary phytochemicals to optimise for health benefits in humans
SNB Selby-Pham - 2017 -

Design, synthesis and biological evaluation of novel coumarin-N-benzyl pyridinium hybrids as multi-target agents for the treatment of Alzheimer's disease
JS Lan, Y Ding, Y Liu, P Kang, JW Hou… - European journal of …, 2017 - Elsevier

Immunomodulatory properties of 1, 2-dihydro-4-hydroxy-2-oxo-1, 8-naphthyridine-3-carboxamide derivative VL15
AM Malfitano, C Laezza, S Bertini, D Marasco… - Biochimie, 2017 - Elsevier

Novel type of isoprenoid membrane anchors: an investigation of binding properties with dipalmitoylphosphatidylcholine vesicles
DA Faizullin, MS Dzyurkevich… - Journal of Physical …, 2017 - Wiley Online Library

Structure-based development of novel triazoles and related thiazolotriazoles as anticancer agents and cdc25a/b phosphatase inhibitors. synthesis, in vitro biological …
SAF Rostom, MH Badr, HAA El Razik… - European journal of …, 2017 - Elsevier

Calcitox-aging counterbalanced by endogenous farnesol-like sesquiterpenoids: An undervalued evolutionarily ancient key signaling pathway.
AL De - Communicative & integrative biology, 2017 -

Anticholinesterase activity screening of some novel dithiocarbamate derivatives including piperidine and piperazine moieties
S Levent, U Acar Çevik, BN Sağlık… - … , Sulfur, and Silicon …, 2017 - Taylor & Francis

Adaptability of mitosporic stage in Sphaerodes mycoparasitica towards its mycoparasitic-polyphagous lifestyle
V Vujanovic, SH Kim - Mycologia, 2017 - Taylor & Francis

Novel polyfunctional esters of ibuprofen and ketoprofen with hypolipidemic, lipoxygenase inhibitory and enhanced anti-inflammatory activity
P Theodosis-Nobelos, P Tziona, A Poptsis… - Medicinal Chemistry …, 2017 - Springer

Design synthesis and evaluation of novel thiazolidinedione derivatives as antidiabetic agents
K Dadasaheb, N Jain, J Vijay, G Kashid - 2017 -

Emulsion-templated porous polymers prepared by thiol-ene and thiol-yne photopolymerisation using multifunctional acrylate and non-acrylate monomers
C Chen, AM Eissa, TL Schiller, NR Cameron - Polymer, 2017 - Elsevier

Experimental and theoretical studies of the [3, 3]-sigmatropic rearrangement of prenyl azides
EOJ Porta, MM Vallejos, ABJ Bracca, GR Labadie - RSC Advances, 2017 -

Cheminformatics approaches in modern drug discovery
S Jamal, A Grover - Drug Design: Principles and Applications, 2017 - Springer

Quinoxalin-2 (1H)-one derived AMPA-receptor antagonists: Design, synthesis, molecular docking and anticonvulsant activity
AGA El-Helby, RRA Ayyad, K El-Adl… - Medicinal Chemistry …, 2017 - Springer

Synthesis, Biological Evaluation, and Molecular Docking Studies of Novel 4‐[4‐Arylpyridin‐1(4H)‐yl]benzoic Acid Derivatives as Anti‐HIV‐1 Agents
S Sepehri, S Soleymani, R Zabihollahi… - Chemistry & …, 2017 - Wiley Online Library

An Organocatalyzed Efficient One‐pot Synthesis, Biological Evaluation, and Molecular Docking Studies of 4,4′‐(Arylmethylene)bis‐(3‐methyl‐1‐phenyl‐1H‐pyrazol …
PS Mahajan, MD Nikam, V Khedkar… - Journal of …, 2017 - Wiley Online Library

Design, synthesis and biological evaluation of 3, 4-dihydro-2 (1H)-quinoline-O-alkylamine derivatives as new multipotent cholinesterase/monoamine oxidase …
Z Sang, W Pan, K Wang, Q Ma, L Yu, W Liu - Bioorganic & medicinal …, 2017 - Elsevier

Xanthine oxidase inhibitors beyond allopurinol and febuxostat; an overview and selection of potential leads based on in silico calculated physico-chemical properties …
A Šmelcerović, K Tomović, Ž Šmelcerović… - European journal of …, 2017 - Elsevier

Structure-activity and lipophilicity relationships of selected antibacterial natural flavones and flavanones of Chilean flora
J Echeverría, J Opazo, L Mendoza, A Urzúa, M Wilkens - Molecules, 2017 -

Neurologically potent molecules from Crataegus oxyacantha; isolation, anticholinesterase inhibition, and molecular docking
M Ali, S Muhammad, MR Shah, A Khan… - Frontiers in …, 2017 -

The synthesis of isosteres of pawhuskin-and schweinfurthin-based stilbenes
DP Stockdale - 2017 -

Synthesis of pyrazole-substituted chromene analogues with selective anti-leukemic activity
G Madhu, M Sudhakar, KS Kumar, GR Reddy… - Russian Journal of …, 2017 - Springer

Preparation and nanoformulation of new quinolone scaffold-based anticancer agents: Enhancing solubility for better cellular delivery
NH Elghazawy, A Hefnawy, NK Sedky… - European Journal of …, 2017 - Elsevier

An efficient one-pot approach for the regio-and diastereoselective synthesis of trans-dihydrofuran derivatives: cytotoxicity and DNA-binding studies
Y Tangella, KL Manasa, VL Nayak, M Sathish… - Organic & …, 2017 -

Synthesis and molecular docking of new imidazoquinazolinones as analgesic agents and selective COX-2 inhibitors
HH Hassanein, HH Georgey, MA Fouad… - Future medicinal …, 2017 - Future Science

Ultrasound assisted-synthesis and biological evaluation of piperazinylprop-1-en-2-yloxy-2h-chromen-2-ones as cytotoxic agents
PG Nikalje, SV Tiwari, JG Tupe… - Letters in Drug …, 2017 -

The Anti-Amyloid-β and Neuroprotective Properties of a Novel Tricyclic Pyrone Molecule
I Maezawa, B Zou, J Di Lucente… - Journal of …, 2017 -

Tannins and tannin-related derivatives enhance the (pseudo-) halogenating activity of lactoperoxidase
J Gau, M Prévost, P Van Antwerpen… - Journal of natural …, 2017 - ACS Publications

Dizajniranje, sinteza, fizičkohemijske i biološke karakteristike derivata β-hidroksi-β-arilalkanskih kiselina
JS Savić - 2017 -

Novel synthesis of isoindoline/isoindoline-1,3-dione derivatives under solventless conditions and evaluation with the human D2 receptor
E Andrade-Jorge, JR Bahena-Herrera… - Medicinal Chemistry …, 2017 - Springer

SIRT6 inhibitors with salicylate-like structure show immunosuppressive and chemosensitizing effects
P Damonte, G Sociali, MD Parenti, D Soncini… - Bioorganic & medicinal …, 2017 - Elsevier

Inducing oxidative stress in parasites: novel hybrid compounds based on peroxides to trap catalytic cysteine residues
DSR Coutinho - 2017 -

Dizajniranje, sinteza, fizičko-hemijske i biološke karakteristike ß-hidroksi-ß-arilalkanskih kiselina
JS Savić - 2017 -

Synthesis, structures, and CO release capacity of a family of water-soluble photoCORMs: assessment of the biocompatibility and their phototoxicity toward human …
I Chakraborty, SJ Carrington, G Roseman… - Inorganic …, 2017 - ACS Publications

Phytochemical Investigation on the Chemical Constituents of Caralluma flava
MA Raees - 2017 -

NeuroPharmacology: As Applied to Designing New Chemotherapeutic Agents
AH Rodgers, LR Morgan - New Approaches to the Management of …, 2017 -

Design, synthesis and evaluation of the antidepressant and anticonvulsant activities of triazole-containing benzo [d] oxazoles
MX Song, BQ Rao, BB Cheng, H Zeng… - CNS & Neurological …, 2017 -

Heterocyclic pharmacochemistry of new rhinovirus antiviral agents: A combined computational and experimental study
L Da Costa, E Scheers, A Coluccia, A Rosetti… - European journal of …, 2017 - Elsevier

A facile synthesis and characterization of some new thiophene based heterocycles
YN Mabkhot, F Alatibi, NNE El-Sayed… - Journal of Molecular …, 2017 - Elsevier

Synthesis of new derivatives of 21-imidazolyl-16-dehydropregnenolone as inhibitors of 5α-reductase 2 and with cytotoxic activity in cancer cells
AV Silva-Ortiz, E Bratoeff, T Ramírez-Apan… - Bioorganic & medicinal …, 2017 - Elsevier

Design and synthesis of 4, 5-diaryl/heteroarylthiophene-2-carboxylic acid derivatives and evaluation of their biological activities
AM Arasavelli, GSV Raghava… - Heterocyclic …, 2017 -

Comprehensive characterization of toxicity of fermentative metabolites on microbial growth
B Wilbanks, CT Trinh - Biotechnology …, 2017 - biotechnologyforbiofuels …

Synthesis, Antibacterial, Antifungal, Antimycobacterial Activity Evaluation of Novel 1, 2, 4-triazole Derivatives Bearing 4-Aminophenyl Moiety
B Kaya Cavusoglu, L Yurttas… - Letters in Drug …, 2017 -

Synthesis of Novel 4-(Dimethylaminoalkyl) piperazine-1-carbodithioa te Derivatives as Cholinesterase Inhibitors
U Acar Cevik, S Levent… - Letters in Drug …, 2017 -

A facile synthesis and anticancer activity of some novel thiazoles carrying 1, 3, 4-thiadiazole moiety
SM Gomha, NA Kheder, MR Abdelaziz… - Chemistry Central …, 2017 -

Synthesis, Antioxidant and Anti-inflammatoy Effects of Antioxidant Acid Amides with GABA and N-Acyl-pyrrolidin-2-ones
KC Tsiakitzis, G Papagiouvannis… - Current Chemical …, 2017 -

Modern Drug Discovery and Relevance of QSAR
HK SRIVASTAVA - … and Computational Advances: From Atoms to … -

Synthesis, characterization, X-ray structure, computational studies, and bioassay of novel compounds combining thiophene and benzimidazole or 1, 2, 4 …
SS Al-Showiman, SM Soliman… - Chemistry Central …, 2017 -

Synthesis and Characterization of Plug-and-Play Polyurethane Urea Elastomers as Biodegradable Matrixes for Tissue Engineering Applications
AP Kishan, T Wilems, S Mohiuddin… - ACS Biomaterials …, 2017 - ACS Publications

Predicting a Drug's Membrane Permeability: A Computational Model Validated With in Vitro Permeability Assay Data
BJ Bennion, NA Be, MW McNerney, V Lao… - The Journal of …, 2017 - ACS Publications

Quantitative structure retention relationships of selected alpha adrenergic and imidazoline receptors ligands in thin layer chromatography
MSM Shenger - 2017 -

Kvantitativni odnosi strukture i retencionih osobina odabranih liganada alfa adrenergičkih i imidazolinskih receptora u tankoslojnoj hromatografiji
M Shenger - 2017 -

Discovery of target directed drugs for neurodegenerative diseases based on benzopyrone scaffold
AMF Fonseca - 2017 -

Relationship between Carbon Electrode Materials and Electrolytes in Capacitive Energy Storage
KL Van Aken - 2017 -

Novel series of 1, 2, 4-trioxane derivatives as antimalarial agents
M Rudrapal, D Chetia, V Singh - Journal of enzyme inhibition and …, 2017 - Taylor & Francis

Novel Artemisinin-Derived Dimers: Synthesis and Evaluation of Anti-cancer Activities
V Tuan Kien, L Huy Binh, P Hai Phong… - Letters in Drug …, 2017 -

Design and synthesis of some new 2, 3′-bipyridine-5-carbonitriles as potential anti-inflammatory/antimicrobial agents
PA Elzahhar, S Elkazaz, R Soliman… - Future medicinal …, 2017 - Future Science

Supplementary materials: Thermodynamics of polypeptide supramolecular assembly in the short chain limit
TO Mason, TCT Michaels, A Levin, CM Dobson, E Gazit… -

M SINGH, P NITISH - Computational Chemistry Methodology in …, 2017 -

Synthesis of Novel Triazole‐incorporated Isatin Derivatives as Antifungal, Antitubercular, and Antioxidant Agents and Molecular Docking Study
MH Shaikh, DD Subhedar, FAK Khan… - Journal of …, 2017 - Wiley Online Library

Relevance of in vitro metabolism models for PET radiotracer development
D Schneider - 2017 -

Structure-anticonvulsant activity studies in the group of (E)-N-cinnamoyl aminoalkanols derivatives monosubstituted in phenyl ring with 4-Cl, 4-CH3 or 2-CH3
A Gunia-Krzyżak, D Żelaszczyk, A Rapacz… - Bioorganic & medicinal …, 2017 - Elsevier

Polysubstituted 2-aminoimidazoles as anti-biofilm and antiproliferative agents: Discovery of potent lead
RK Gill, V Kumar, SCA Robijns… - European journal of …, 2017 - Elsevier

Aryl/heteroaryl Substituted Celecoxib Derivatives as COX-2 Inhibitors: Synthesis, Anti-inflammatory Activity and Molecular Docking Studies
G Madhava, KV Ramana, SM Sudhana… - Medicinal …, 2017 -

Pharmacokinetic profiles and pharmacodynamic effects for methylone and its metabolites in rats
JS Elmore, O Dillon-Carter, JS Partilla… - …, 2017 -

Gastrointestinal interactions, absorption, splanchnic metabolism and pharmacokinetics of orally ingested phenolic compounds
JA Domínguez-Avila, A Wall-Medrano… - Food & function, 2017 -

Avaliação da Atividade Antibacteriana, Antioxidante e Toxicológica do Flavonoide isolado de Lonchocarpus araripensis (Leguminosae): Estudos in silico e in vitro
DRP Meireles - 2017 -

Compuestos fenólicos como bioplaguicidas de Sitophilus zeamais (Motschulsky).
AM Rodríguez - 2017 -

Atividade antifúngica do geraniol sobre leveduras multirresistentes do gênero candida e perfil farmacológico e toxicológico em estudos in silico
JA Pereira - 2017 -

Aryl/heteroaryl substituted celecoxib derivatives as COX-2 inhibitors: Synthesis, anti-inflammatory activity...
MS Saddala, DS Rao, HK Kuntrapakam - Medicinal Chemistry, 2017 -

Synthesis and biological evaluation of a new series of benzimidazole derivatives as antimicrobial, antiquorum-sensing and antitumor agents
NS El-Gohary, MI Shaaban - European journal of medicinal chemistry, 2017 - Elsevier

Substituted N-Phenyl-5-(2-(phenylamino)thiazol-4-yl)isoxazole-3-carboxamides Are Valuable Antitubercular Candidates that Evade Innate Efflux Machinery
E Azzali, D Machado, A Kaushik… - Journal of Medicinal …, 2017 - ACS Publications

A preliminary investigation of anticancer activity of novel benzothiazole derivatives against A549 lung carcinoma cell line
L Yurttaş, BK Çavuşoğlu, A Sever… - Turkish Journal of …, 2017 -

Хроматографска, микробиолошка и in silico анализа стероидних једињења од потенцијалног биомедицинског значаја
М Караџић - 2017 -

Präklinische Untersuchungen der renoprotektiven Wirksamkeit nierenspezifischer Wirkstoff-Konjugate. Synthese, Pharmakokinetik und Wirksamkeit.
M Janzer - 2017 -

Design, synthesis and molecular docking studies of new potential piperazine derivatives as cognition enhancers
CC Danta, P Piplani - Central Nervous System Agents in …, 2017 -

Databázové zdroje v chemii
J Jindřich - Chemické listy, 2017 -

Web Sites of Interest to Immunologists
MP Lefranc - Current protocols in immunology, 2017 - Wiley Online Library

Weighting agent and flavor compound interactions: The impacts of concentration, chemistry, and oil composition for application in beverage emulsions
K Kanyuck - 2017 -

Structural Characterization of 17β-Hydroxysteroid Dehydrogenase Type 14 and Inhibitor Optimization Using Crystallography and Computational Techniques
N Bertoletti - 2017 -

Eltrombopag: a powerful chelator of cellular or extracellular iron (III) alone or combined with a second chelator
E Vlachodimitropoulou, YL Chen, M Garbowski… - Blood, 2017 - Am Soc Hematology

Transport rates of dietary phytochemicals in cell monolayers is
L Bennett - Biochemical and biophysical research …, 2017 -

Estudos computacionais e experimentais da permeabilidade celular de candidatos a fármacos
KS Matos -

Structure-property relationship of 3-(4-substituted benzyl)-1, 3-diazaspiro [4.4] nonane-2, 4-diones as new potentional anticonvulsant agents. An experimental and …
AM Lazić, BĐ Božić, VD Vitnik, ŽJ Vitnik… - Journal of Molecular …, 2017 - Elsevier

Synthesis, antimicrobial, antiquorum-sensing and antitumor activities of new benzimidazole analogs
NS El-Gohary, MI Shaaban - European journal of medicinal chemistry, 2017 - Elsevier

Modification of S-Adenosyl-l-Homocysteine as Inhibitor of Nonstructural Protein 5 Methyltransferase Dengue Virus Through Molecular Docking and Molecular …
USF Tambunan, MAF Nasution, F Azhima… - Drug target …, 2017 -

Luminescent 1,8‐Naphthalimide‐Derived ReI Complexes: Syntheses, Spectroscopy, X‐ray Structure and Preliminary Bioimaging in Fission Yeast Cells
EE Langdon‐Jones, CF Williams… - European Journal of …, 2017 - Wiley Online Library

Investigação do mecanismo da atividade antifúngica do monoterpeno citral frente a cepas de cladosporium spp e cladophialophora carrionii
CPM Caldas - 2017 -

Distribution of synthetic cannabinoids JWH-210, RCS-4 and Δ 9-tetrahydrocannabinol after intravenous administration to pigs
N Schaefer, M Kettner, MW Laschke… - Current …, 2017 -

Thermoresponsive hydrogels with covalently incorporated trehalose as protein carriers
M Burek, S Waśkiewicz, S Awietjan… - Reactive and Functional …, 2017 - Elsevier

Synthesis and structure-activity relationship study: Anticancer chalcones derived from 4′-morpholinoacetophenone
BS KURŞUN-AKTAR, EE Oruc-Emre… - Marmara …, 2017 -

One Pot, Simple, and Efficient Synthesis of 2-Azetidinones Mediated by 3-(Diethoxyphosphoryloxy)-1, 2, 3-benzotriazin-4-(3H)-one
M Saraei, M Zarei, S Zavar - Letters in Organic Chemistry, 2017 -

A novel class of thiosemicarbazones show multi-functional activity for the treatment of Alzheimer's disease
D Palanimuthu, R Poon, S Sahni, R Anjum… - European journal of …, 2017 - Elsevier

Investigação dos potenciais anti-inflamatório e antitumoral de análogos do resveratrol
DCZ Franco - 2017 -

Removal of Perfluorinated Compounds in Drinking Water Treatment: A Study of Ion Exchange Resins and Magnetic Nanoparticles
C Liu - 2017 -

Removal of organic micropollutants in water using surface modified membrane systems.
OD Ojajuni - 2017 -

Anti-inflammatory and hypolipidemic effect of novel conjugates with trolox and other antioxidant acids
P Theodosis-Nobelos, PN Kourounakis… - Medicinal …, 2017 -

Anti-inflammatory activity and structure-activity relationships of brominated indoles from a marine mollusc
TB Ahmad, D Rudd, J Smith, M Kotiw, P Mouatt… - Marine drugs, 2017 -

Effect of Alkylation on the Cellular Uptake of Polyethylene Glycol-Coated Gold Nanoparticles
LWC Ho, WY Yung, KHS Sy, HY Li, CKK Choi… - ACS …, 2017 - ACS Publications

Development of New Multicomponent Processes based on Unexplored Chemistry of Isocyanides: Access to Heterocyclic Scaffolds and Applications
O Ghashghaei - 2017 -

Probing the molecular interactions between human Carbonic Anhydrases (hCAs) and a novel class of designed benzenesulfonamides

Soaking suggests “alternative facts”: Only co-crystallization discloses major ligand-induced interface rearrangements of a homodimeric tRNA-binding protein …
FR Ehrmann, J Stojko, A Metz, F Debaene… - PloS one, 2017 -

Synthesis, antimicrobial, antiquorum-sensing, antitumor and cytotoxic activities of new series of cyclopenta (hepta)[b] thiophene and fused cyclohepta [b] thiophene …
SA Abdel-Rahman, NS El-Gohary… - European journal of …, 2017 - Elsevier

Polar aromatic periphery increases agonist potency of spirocyclic free fatty acid receptor (GPR40) agonists inspired by LY2881835
M Krasavin, A Lukin, D Bagnyukova, N Zhurilo… - European journal of …, 2017 - Elsevier

Avaliação da atividade citotóxica e antitumoral de acetohidroxamatos sintéticos em modelos in vitro e in vivo
GC Segat - 2017 -

Balloon Aortic Valvuloplasty in Rheumatic Aortic Valve
Q Naz, N Verma, M Serajuddin… - Journal of the Practice …, 2017 -

Thiol-ene Chemistry as an Enabler of New Polymer Structures and Architectures
JM Sarapas - 2017 -

Selectivity Behavior of a Robust Porous Organic Salt Based on the Pamoate Ion
H Wahl, DA Haynes, T le Roex - Crystal Growth & Design, 2017 - ACS Publications

Synthesis of 2,5-Disubstituted Furans from Sc(OTf)3 Catalyzed Reaction of Aryl Oxiranediesters with γ-Hydroxyenones
K Mondal, SC Pan - The Journal of organic chemistry, 2017 - ACS Publications

New Synthetic Routes to Nitrogen Heterocycles: Natural Products and Novel Drug Scaffolds
Y Bu - 2017 -

Synthesis, screening and docking of fused pyrano [3, 2-d] pyrimidine derivatives as xanthine oxidase inhibitor
M Kaur, A Kaur, S Mankotia, H Singh, A Singh… - European journal of …, 2017 - Elsevier

Use of Topical Co-drugs for the Treatment of Psoriasis: Formulation, Stability and Targeted Drug Delivery in the Skin
A Jadhav - 2017 -

Prevention of Oxygen Inhibition of PolyHIPE Radical Polymerization Using a Thiol-Based Cross-Linker
ME Whitely, JL Robinson, MC Stuebben… - ACS biomaterials …, 2017 - ACS Publications

Selective and Efficient Removal of Volatile Organic Compounds by Channel-type Gamma-Cyclodextrin Assembly through Inclusion Complexation
A Celebioglu, S Ipek, E Durgun… - Industrial & Engineering …, 2017 - ACS Publications

Fluorinated pyrrole incorporated 2-thiazolyl hydrazone motifs: a new class of antimicrobial and anti tuberculosis agents
PV Sowmya, B Poojary, V Kumar… - Archives of pharmacal …, 2017 - Springer

Resúmenes I encuentro internacional en ciencias de la salud
D Delgado - Revista Salud UIS, 2017 -

Avaliação da interação da ovalbumina, principal alérgeno natural da clara de ovo, com sulfonamidas através de estudos espectroscópicos e de atividade biológica
ACF Lyra - 2017 -

Predicting TCPP Emissions and Airborne Concentrations from Spray Polyurethane Foam Using USEPA i-SVOC Software: Parameter Estimation and Result …
S Tian, J Sebroski, S Ecoff - Developing Consensus Standards for …, 2017 -

Planejamento computacional, síntese e ensaio biológico de novos potenciais agentes anticâncer tendo como alvo enzima FoxM1.
BCR Araújo - 2017 -

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