Molinspiration Publications 2016

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.

Antimicrobial activity of some novel armed thiophene derivatives and petra/osiris/molinspiration (POM) analyses
YN Mabkhot, F Alatibi, NNE El-Sayed, S Al-Showiman… - Molecules, 2016 -

Synthesis, spectral characterization and in vitro antibacterial evaluation and Petra/Osiris/Molinspiration analyses of new Palladium (II) iodide complexes with …
S Nadeem, M Sirajuddin, S Ahmad, SA Tirmizi… - Alexandria Journal of …, 2016 -

Pharmacological investigations and Petra/Osiris/Molinspiration (POM) analyses of newly synthesized potentially bioactive organotin (IV) carboxylates
M Tariq, M Sirajuddin, S Ali, N Khalid, MN Tahir… - … of Photochemistry and …, 2016 - Elsevier

In silico ADME, Bioactivity and Toxicity prediction of Some Selected Anti-Epileptic Agents
N Kumar, SS Mishra, CS Sharma… - International Journal of …, 2016 -

Molecular docking analysis of selected Clinacanthus nutans constituents as xanthine oxidase, nitric oxide synthase, human neutrophil elastase, matrix …
AI Radhakrishnan Narayanaswamy… - Pharmacognosy …, 2016 -

Discovery of potential ALK inhibitors by virtual screening approach
A Kumar, V Shanthi, K Ramanathan - 3 Biotech, 2016 - Springer

Virtual Screening Approaches in Identification of Bioactive Compounds Akin to Delphinidin as Potential HER2 Inhibitors for the Treatment of Breast Cancer
K Patidar, A Deshmukh, S Bandaru… - Asian Pacific Journal …, 2016 -

In silico drug-qualifying parameters of 5-[(4-chlorophenoxy) methyl]-1, 3, 4-oxadiazole-2-thiol
N Shehzadi, K Hussain, M Islam, NI Bukhari… - Lat Am J …, 2016 -

Reverse docking study unravels the potential Mycobacterium tuberculosis enzyme targets of Agelasine F
JB Billones - Oriental Journal of Chemistry, 2016 -

Evaluation of Drug Candidature of some Benzimidazole Derivatives as Biotin Carboxylase Inhibitors: Molecular docking and Insilico studies
K Hemalatha, K Girija - Asian Journal of Research in …, 2016 -

Biological and quantitative-SAR evaluations, and docking studies of (E)-N-benzylidenebenzohydrazide analogues as potential antibacterial agents
MS Alam, S Jebin, MM Rahman, ML Bari, DU Lee - EXCLI journal, 2016 -

Discovery of two diacetylene glycosides as human uridine-cytidine kinase 2 inhibitors: an in silico approach
MA Mohamed, AI Dirar… - Journal of Applied …, 2016 -

Synthesis, characterization and in silico biological activity of some 2-(N, N-dimethyl guanidinyl)-4, 6-diaryl pyrimidines
RK Kumarachari, S Peta, AS Surur… - Journal of pharmacy & …, 2016 -

F Nohri -

N Kumar, S She -

Effect of Alkylation of 4'-hydroxy of Kaempferol on its bioactivity: A Theoretical Approach
P Kulkarni -

O Asiah, J Mohd Haffiz, Y Nurhanan Murni… - HEALING POWER … -

R Bartzatt - International Journal of Cancer Research and …, 2016 - Potency and Properties of Hydrazide Compounds That Inhibit the Growth of Mycobacterium tuberculosis
R Bartzatt - Journal of Advances in Medical and …, 2016 -

Synthesis of spiro-2-oxindole derivatives as potential sodium channel blockers
AA Babchenko, RG Redkin, LA Schemchuk… - 2016 -


Available Online through Research Article www. ijptonline. com
SM Zachariah, M Ramkumar, N George, MS Ashif… -

Drug Design and Data Management of Artemether
DKR Garima, P Dubey, MK Das -


Research of new anti-tuberculosis agents by molecular docking's method
A Bensegueni, H Boucherit - Journal of Computational Methods in …, 2016 -

Molecular Docking Studies of E-Bola Virus Protein VP30
UPA Shaikh, YN Joshi - 2016 -

International Journal of Current Research and Academic Review
J Premila, S Logeshwari, G Shanmugapriya -

TB Drug Potency of a Structure Modified Derivative of Ethambutol: A Docking Based and Quantum-Chemical Comparison Study.
A Bag - Advances in Bioresearch, 2016 -

Synthesis and anti-leishmanial evaluation of 1-phenyl-2, 3, 4, 9-tetrahydro-1H-β-carboline derivatives against Leishmania infantum
P Ashok, S Chander, A Tejería, L García-Calvo… - European journal of …, 2016 - Elsevier

Isolation and Insilico evaluation of artemisinin from ethanolic extract of Artemisia indica willd for antidiarrhoeal activity
V Rajani, S Nagababu, N Kalyani… - … Journal of Research …, 2016 -

T Rajkumar, P Shirisha, SS Faisal, SA Hussain… -

GSAI AKASH - Asian J Pharm Clin Res, 2016 -

Investigation of Phytocompounds and Computational Approach for the Evaluation of Therapeutic Properties of Ethanolic Leaf Extract ofCallistemon citrinus
A Balasundaram, R Ragupathy… - Int. J. Pharm. Sci …, 2016 -

Properties and Drug-likeness of Compounds That Inhibit Ebola Virus Disease (EVD)
R Bartzatt - … Journal of TROPICAL DISEASE & Health, 2016 -

Virtual screening of RAGE inhibitors using molecular docking
MD Alaparthi, G Gopinath, S Bandaru, V Sankeshi… - …, 2016 -

Molecular Docking Analysis-An aid for Selection of Promising Natural Plant Products against Diphtheria Toxin
AS Chakotiya, R Chawla, A Tanwar - 2016 -

Computational screening of dipeptidyl peptidase IV inhibitors from micoroalgal metabolites by pharmacophore modeling and molecular docking
G Selvaraj, S Kaliamurthi, ZE Cakmak… - Phycological …, 2016 - Wiley Online Library

In silico ADME and Toxicity Study of Some Selected Antineoplastic Drugs
CS Sharma, SS Mishra, HP Singh… - International Journal of …, 2016 -

Burn Skin Pathogens: Isolation, Identification, Antimicrobial Activity Pattern Against C. longa Extract and Computational Studies of its Components
EA Alodeani -

Application of hydrophilic interaction liquid chromatography for the quantification of flavonoids in Genista tinctoria extract
A Sentkowska, M Biesaga, K Pyrzynska - Journal of analytical methods …, 2016 -

Design and synthesis of isatin/triazole conjugates that induce apoptosis and inhibit migration of MGC-803 cells
B Yu, SQ Wang, PP Qi, DX Yang, K Tang… - European journal of …, 2016 - Elsevier

An Approach to Computer Aided Drug Design of some Bioactive Cinnamoyl Hydrazones
BH Banu, G Rajitha, K Bharathi - 2016 -

Rational drug design of smaller chain peptides as cardioprotective agents: Application towards denovo strategy for drug like properties and docking studies
K Nagarajan, R Ranjan -

In silico pharmacokinetics and molecular docking of three leads isolated from Tarconanthus camphoratus L
AI Dirar, AY Waddad, MA Mohamed… - Int J Pharm Pharm …, 2016 -

Structural basis for the in vitro known acyl-depsipeptide 2 (ADEP2) inhibition to Clp 2 protease from Mycobacterium tuberculosis
N Khandekar, S Singh, R Shukla, S Tirumalaraju… - …, 2016 -

Virtual dual inhibition of COX-2/5-LOX enzymes based on binding properties of alpha-amyrins, the anti-inflammatory compound as a promising anti-cancer …
MM Ranjbar, V Assadolahi, M Yazdani, D Nikaein… - EXCLI …, 2016 -

In Silico Pharmacokinetic and Toxicity Evaluation of Some Selected Nonsteroidal Anti-inflammatory and Antipyretic-Analgesic Agents
SS Mishra, CS Sharma, HP Singh, N Kumar - International Journal of …, 2016 -

Characterization of isolated bioactive phytoconstituents from Flacourtia indica as potential phytopharmaceuticals-An in silico perspective
SM Hussain, MS Hussain, L Arbaaz Ahmed… - … of Pharmacognosy and …, 2016 -

Bioinformatic Analysis of Drug Candidate Compounds for Acquired Immunodeficiency Syndrome
RM Sukoco, A Fauzi, U Nuha - … Conference on Global …, 2016 -

6-Gingerol from Zingiberaceae as a Result of Reverse Docking for Prostate's Cancer Potential Drug Candidate
HA Setyanto, AT Widiansyah… - … Conference on Global …, 2016 -

4.2. 3.5. Synthesis of Lipophilic Antioxidants Based on Natural Models
S Benfeitoa, T Silvaa, DM Silvaa… - … Experiments for the …, 2016 -

Comparison of commercially available drugs for Type 2 diabetes with natural molecule from Tinospora
N PANDEY, RK PATHAK… - Int J Pharm Pharm Sci, 2016 -

Synthesis and antimicrobial activity of N1-(3-chloro-4-fluorophenyl)-N4-substituted semicarbazone derivatives
MJ Ahsan, M Amir, MA Bakht, JG Samy… - Arabian journal of …, 2016 - Elsevier

Journal of Chemical and Pharmaceutical Research, 2016, 8 (3): 383-393
R Patela, PK Shuklaa, A Vermab… - Journal of Chemical and …, 2016 -

Molecular modeling and docking of small molecule inhibitors against NEK2
B Ramachandran, S Kesavan, T Rajkumar - Bioinformation, 2016 -

Relationship between the bioavailability and molecular properties of angiotensin ii receptor antagonists
JB Trbojević, JV Odović… - Archives of Biological …, 2016 -

In Search of the Antimicrobial Potential of Benzimidazole Derivatives
M Janeczko, Z Kazimierczuk, A Orzeszko… - Pol. J …, 2016 -

Fragment-Based De Novo Design of Cyclin-Dependent Kinase 2 Inhibitors
SK Tripathi, P Singh, SK Singh - Cyclin-Dependent Kinase (CDK) Inhibitors, 2016 - Springer

Production of Bacoside AA Potent Herbal Drug for Alzheimer in Callus Cultures of Bacopa Monnieri (L.) Pennell
J Leonard - 2016 -

Distribution coefficients of novel coumarin derivatives
L Ballazhi, E Dogazanska, F Imeri, A Jashari… - Your hosts Macedonian … -

Study of structural features, biological targets and ADMET properties of retinoids
M Delač - 2016 -

The relationship between plasma protein binding and molecular properties of selected antifungal agents
J Odović, J Trbojević, J Trbojević-Stanković… - Your hosts Macedonian … -

In silico and in vitro methods to identify ebola virus VP35-dsRNA inhibitors
JG Glanzer, BM Byrne, AM McCoy, BJ James… - Bioorganic & medicinal …, 2016 - Elsevier

In silico approaches for inhibitor designing against Plasmepsin-II of malarial parasite, Plasmodium malariae
M Kashyap, VK Sohpal, P Mahajan - BIOSCIENCE …, 2016 -

Isolated Burn Skin Pathogens: Screening Against Extract of Carissa Edulis Vahl and Computational Studies
EA Alodeani, M Arshad, MA Izhari -

Towards cheminformatics-based estimation of drug therapeutic index: Predicting the protective index of anticonvulsants using a new quantitative structure-index …
S Chen, P Zhang, X Liu, C Qin, L Tao, C Zhang… - Journal of Molecular …, 2016 - Elsevier

Synthesis of 17β-N-arylcarbamoylandrost-4-en-3-one derivatives and their anti-proliferative effect on human androgen-sensitive LNCaP cell line
F Cortés-Benítez, M Cabeza, MT Ramírez-Apan… - European journal of …, 2016 - Elsevier

Design, Synthesis, in vitro Antiproliferative Activity, Binding Modeling of 1, 2, 4,-Triazoles as New Anti-Breast Cancer Agents
M Genc, ZK Genc, S Tekin, S Sandal… - Acta Chimica …, 2016 -

Novel aromatase inhibitors selection using induced fit docking and extra precision methods: Potential clinical use in ER-alpha-positive breast cancer
R Kumavath, M Azad, P Devarapalli, S Tiwari… - …, 2016 -

Molecular docking and molecular dynamics simulation study of inositol phosphorylceramide synthase–inhibitor complex in leishmaniasis: Insight into the …
V Mandlik, S Singh - F1000Research, 2016 -

Synthesis, characterization and biological evaluation of novel 3-amino-1-(phenyl) benzo [f] quinoline-3-carbonitrile derivatives
H Der, J Kumbhani, M Patel, K Ram, D Joshi… - IJCS, 2016 -

A facile microwave assisted one pot synthesis of novel xanthene derivatives as potential anti-inflammatory and analgesic agents
AG Banerjee, LP Kothapalli, PA Sharma… - Arabian Journal of …, 2016 - Elsevier

Synthesis of epoxide hydrolase sEH inhibitors and study of its inhibitory properties
GM Butov, VV Burmistrov, DV Danilov… - Russian Chemical …, 2016 - Springer

Development of 2‐(Substituted Benzylamino)‐4‐Methyl‐1, 3‐Thiazole‐5‐Carboxylic Acid Derivatives as Xanthine Oxidase Inhibitors and Free Radical Scavengers
MR Ali, S Kumar, O Afzal, N Shalmali… - Chemical biology & …, 2016 - Wiley Online Library

Design, synthesis and evaluation of antiproliferative activity of new benzimidazolehydrazones
V Onnis, M Demurtas, A Deplano, G Balboni… - Molecules, 2016 -

In silico to in vitro screening of hydroxypyridinones as acetylcholinesterase inhibitors
MA Telpoukhovskaia, BO Patrick… - Bioorganic & medicinal …, 2016 - Elsevier

Design and synthesis of imidazo[4,5-c]pyridine derivatives as promising Aurora kinase A (AURKA) inhibitors
DA Lomov, SN Lyashchuk, MG Abramyants - Russian Journal of Organic …, 2016 - Springer

Computationally designed novel drug for the regulation of protein expression levels of BCL-2 family
IA Tayubi, S Shome… - International Journal of …, 2016 -

Identification of lead compounds with cobra venom detoxification activity in Andrographis paniculata (Burm. f.) Nees through in silico method
NC Nisha, S Sreekumar, CK Biju - Issn-0975-1491, 2016 -

PD Choudhari, YN Joshi, PS Vinod -

Development of an extended amino acid hydrophobicity scale
L Gujinović - 2016 -

E Bila - Вісник Львівського університету. Серія хімічна -

Купрокаталітичне арилсульфонілювання 1, 5-дифеніл-2, 4-пентадієн-1-ону
Є Біла - Вісник Львівського університету. Серія хімічна, 2016 -

Синтез, антидепрессивная активность и прогноз in silico фармакокинетических и токсикологических свойств 3-замещенных тиетан-1, 1-диоксидов
ЕЭ Клен, ИЛ Никитина, НН Макарова… - Химико …, 2016 -

In Vitro Antifungal, Anticancer Activities and POM Analyses of a Novel Bioactive Schiff Base 4-{[(E)-furan-2-ylmethylidene] amino} p-henol: Synthesis, Characterization …
S Tighadouni, S Radi, M Sirajuddin… - Journal of the …, 2016 -

A Divyadarshini, P Indu, S Rajarajan, R Sridhar - 2016 -

In Silico Design, Synthesis, and Toxicological Evaluation of 1,3-Thiazolidine-2,4-dione Derivatives as PPARγ Agonists
D Alemán, F Tamay, J Correa, J Fragoso… - The FASEB Journal, 2016 -

In silico and antithrombotic studies of 1, 3, 4-oxadiazoles derived from benzimidazole
B Vishwanathan, BM Gurupadayya… - Bangladesh Journal of …, 2016 -

S Baluja, S Chanda - INDONESIAN …, 2016 -

Synthesis of Schiff Bases of Pyridine-4-Carbaldehyde and their Antioxidant and DNA Binding Studies.
S Shamim, S Murtaza, MF Nazar - Journal of the Chemical Society …, 2016 -

Therapeutic potential of Taraxacum officinale against HCV NS5B polymerase: In-vitro and In silico study
S Rehman, B Ijaz, N Fatima, SA Muhammad… - Biomedicine & …, 2016 - Elsevier

Identification of lead compounds against human hepatitis B viral capsid protein in three medicinal plants through in silico method
S Mathew, S Sreekumar, CK Biju - IOSR, 2016 -

How to improve antifungal bioactivity: POM and DFT study of some chiral amides derivatives of diacetyl-L-tartaric acid and amines
YN Mabkhot, M Arfan, H Zgou, ZK Genc… - Research on Chemical …, 2016 - Springer

Identification of bioflavonoid as fusion inhibitor of dengue virus using molecular docking approach
A Mir, H Ismatullah, S Rauf, UHK Niazi - Informatics in Medicine Unlocked, 2016 - Elsevier

Synthesis of 3, 3′-carbonyl-bis (chromones) and their activity as mammalian alkaline phosphatase inhibitors
M Miliutina, SA Ejaz, VO Iaroshenko… - Organic & …, 2016 -

Synthesis of Pyrazolyl Methylene Bisindoles by using Recyclable Nano Copper Ferrite Catalyst and their Anti Bacterial Studies
R kumar Ganta, C Madhu, A Hymavathi… - Oriental Journal of …, 2016 -

Synthesis and biological evaluation of fluoropyrazolesulfonylurea and thiourea derivatives as possible antidiabetic agents
HM Faidallah, MM Al-Mohammadi… - Journal of enzyme …, 2016 - Taylor & Francis

Treating diabetes mellitus: pharmacophore based designing of potential drugs from Gymnema sylvestre against insulin receptor protein
MU Hossain, M Khan, SM Rakib-Uz-Zaman… - BioMed research …, 2016 -

In vitro trichomonacidal activity and preliminary in silico chemometric studies of 5-nitroindazolin-3-one and 3-alkoxy-5-nitroindazole derivatives
A Ibanez-Escribano, JJ Nogal-Ruiz, A Gomez-Barrio… - Parasitology, 2016 -

P Venkateshaiah, ST Gururaja, K Kondapalli… - 2016 -

Computational Calculations of Molecular Properties and Molecular Docking of New and Reference Cephalosporins on Penicillin Binding Proteins and Various …
SM Alwan - Journal of Pharmacy and Pharmacology, 2016 -

Biological activity of a small molecule indole analog, 1-[(1H-indol-3-yl) methylene]-2-phenylhydrazine (HMPH), in chronic inflammation
CS Misra, CG Honnappa, SR Jitta, K Gourishetti… - Chemico-biological …, 2016 - Elsevier

Molecular Docking Study of a Series of Substituted Xanthone Derivatives as Novel COX-2 Inhibitors Targeting Prostaglandin Endoperoxide Synthase-2
A Das, U Gogoi, J Kalita… - Current Enzyme …, 2016 -

Retention data of bile acids and their oxo derivatives in characterization of pharmacokinetic properties and in silico ADME modeling
J Trifunović, V Borčić, S Vukmirović, SG Kon… - European Journal of …, 2016 - Elsevier

The validation of quantum chemical lipophilicity prediction of alcohols
M Michalík, V Lukeš - Acta Chimica Slovaca, 2016 -

Molecular docking and DFT studies on some nano-meter binuclear complexes derived from hydrazine-carbothioamide ligand, synthesis, thermal, kinetic and spectral …
AY Al-Dawood, NM El-Metwaly… - Journal of Molecular …, 2016 - Elsevier

In Silico drug activity prediction of chemical components of Acalypha Indica
SSN Tharani -

Modeling, Docking and in Silico ADMET of 1, 2, 4-Triazol Containing Biphenyl Sulfamate Inhibitors as Anti-breast Cancer
K Lotfy - Ann Chem Open Access, 2016 -

Structural parameters, molecular properties, and biological evaluation of some terpenes targeting Schistosoma mansoni parasite
AC Mafud, MPN Silva, DC Monteiro, MF Oliveira… - Chemico-biological …, 2016 - Elsevier

Informatics in Medicine Unlocked
A Mir, H Ismatullah, S Rauf, UHK Niazi, EJ Ciaccio… - 2016 -

In Silico Study of Novel Fluoroquinolones as Inhibitors of Topoisomerase IV of Acinetobacter Baumannii
G Sabbagh, T Murad -

In vitro effects of a new fused azaisocytosine-like congener on relative cell proliferation, necrosis and cell cycle in cancer and normal cell cultures
M Sztanke, J Rzymowska, K Sztanke - Molecular and cellular biochemistry, 2016 - Springer

Green synthesis and antibacterial evaluation of isatin-oxime-triazole conjugates.
K Lal, P Yadav - Chemistry & Biology Interface, 2016 -

Journal of Bioinformatics and Proteomics Review
M Pulaganti, AC Moremmagari, CS Kumar -

Synthesis and cytotoxic evaluation of novel 2-aryl-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-6, 7-methylendioxy-1, 2, 3, 4-tetrahydroquinolines, podophyllotoxin-like …
VV Kouznetsov, DR Merchan-Arenas… - Medicinal Chemistry …, 2016 - Springer

A comparative study on the druggability of Schiff bases and dithiocarbamate derivatives of chitosan
T Noushad, P Alikutty, H Basila, VK Rajan… - Polymer Bulletin, 2016 - Springer

Synthesis and characterization of cyclotriphosphazene derivatives bearing azole groups
A Uslu, E Özcan, S Dural, F Yuksel - Polyhedron, 2016 - Elsevier

ACFIS: a web server for fragment-based drug discovery
GF Hao, W Jiang, YN Ye, FX Wu, XL Zhu… - Nucleic acids …, 2016 -

Pharmacological Analysis of Vorinostat Analogues as Potential Anti-tumor Agents Targeting Human Histone Deacetylases: an Epigenetic Treatment Stratagem …
S Praseetha, S Bandaru, A Nayarisseri… - Asian Pacific Journal …, 2016 -

Progress in the development of small molecules as new human A 3 adenosine receptor ligands based on the 3-thiophenylcoumarin core
MJ Matos, S Vilar, S Kachler, S Vazquez-Rodriguez… - …, 2016 -

Ethyl 4-(4-methylphenyl)-4-pentenoate from Vetiveria zizanioides Inhibits Dengue NS2B–NS3 Protease and Prevents Viral Assembly: A Computational Molecular …
P Lavanya, S Ramaiah, A Anbarasu - Cell biochemistry and biophysics, 2016 - Springer

The effects of cinnamaldehyde and eugenol on human adipose-derived mesenchymal stem cells viability, growth and differentiation: a cheminformatics and in …
A Absalan, SA Mesbah-Namin, T Tiraihi… - Avicenna journal of …, 2016 -

Synthesis, bioactivity and Docking Study of Some New Indole-hydrazone Derivatives
NS El-Dina, A Barseemb - Journal of Applied Pharmaceutical …, 2016 -

Pharmacoinformatic and molecular docking studies reveal potential novel antidepressants against neurodegenerative disorders by targeting HSPB8
SA Sehgal, S Mannan, S Ali - Drug design, development and …, 2016 -

I Malik, M Lukac, J Galba… - FEB-FRESENIUS …, 2016 -

Synthesis, In silico studies and In vitro evaluation for antioxidant and antibacterial properties of diarylmethylamines: A novel class of structurally simple and highly …
S Mahato, A Singh, L Rangan, CK Jana - European Journal of …, 2016 - Elsevier

Synthesis and herbicidal evaluation of novel benzothiazole derivatives as potential inhibitors of D1 protease
T Huang, J Sun, L An, L Zhang, C Han - Bioorganic & medicinal chemistry …, 2016 - Elsevier

Synthesis, structure and antimicrobial evaluation of a new gossypol triazole conjugates functionalized with aliphatic chains and benzyloxy groups
K Pyta, M Blecha, A Janas, K Klich, P Pecyna… - Bioorganic & medicinal …, 2016 - Elsevier

Synthesis of 2-(4-aryl (adamantyl)-2-phenylіmіnothіazol-3-yl)-ethanol derivatives and prediction of their biological activity
HO Yeromina, IV Drapak, LO Perekhoda… - 2016 -

Identification of lead molecules with anti-hepatitis B activity in Bacopa monnieri (L.) Wettst. and Cassia fistula L. through in silico method
B Shefin, S Sreekumar, CK Biju -

.cnSynthesis, in vitro antitumor activity and molecular modeling studies of a new series of benzothiazole Schiff bases
MT Gabr, NS El-Gohary, ER El-Bendary… - Chinese Chemical …, 2016 - Elsevier

Homology modeling, molecular dynamics, and virtual screening of NorA efflux pump inhibitors of Staphylococcus aureus
BV Bhaskar, TMC Babu, NV Reddy… - Drug design …, 2016 -

The quantitative relationships of the partition coefficients calculated in the series of nr-amine functional derivatives
MY Golik, OS Kryskiv, AM Komissarenko… - Vìsnik …, 2016 -

Synthesis, molecular properties prediction and anticancer, antioxidant evaluation of new edaravone derivatives
N Polkam, VR Ramaswamy, P Rayam… - Bioorganic & medicinal …, 2016 - Elsevier

Biological features, drug-likeness, pharmacokinetic properties, and docking of 2-arylidenehydrazinyl-4-arylthiazole analogues
MS Alam, JU Ahmed, DU Lee - Applied Biological Chemistry, 2016 - Springer

One-Pot Synthesis and Evaluation of Antileishmanial Activities of Functionalized S-Alkyl/Aryl Benzothiazole-2-carbothioate Scaffold
AA Dar, M Shadab, S Khan, N Ali… - The Journal of organic …, 2016 - ACS Publications

MP Santhi, G Bupesh, V SenthilKumar, K Meenakumari… -

2D QSAR and Virtual Screening based on Pyridopyrimidine Analogs of Epidermal Growth Factor Receptor Tyrosine Kinase
S Sugunakala, S Selvaraj - Current computer-aided drug …, 2016 -

QSAR of Retinoids and Evaluation of Biosimilarity by on-Targets and off-Targets Prediction, and ADMET Properties Related to Safety Profile
MJM Takač, M Delač, T Takač… - … Symposium on Scientific …, 2016 -

Acridin-3, 6-dialkyldithiourea hydrochlorides as new photosensitizers for photodynamic therapy of mouse leukemia cells
A Cisáriková, Z Barbieriková, L Janovec, J Imrich… - Bioorganic & medicinal …, 2016 - Elsevier

Antioxidant and Angiotensin Converting Enzyme Inhibition Activity of Landophia owariensis
NN Nwaji, OO Ojo, ZA Ayinla, AF Ajayi-Smith… -

Drug-excipient behavior in polymeric amorphous solid dispersions
SB Teja, SP Patil, G Shete, S Patel… - Journal of Excipients …, 2016 -

Development of thieno-and benzopyrimidinone inhibitors of the Hedgehog signaling pathway reveals PDE4-dependent and PDE4-independent mechanisms of action
JE Hempel, AG Cadar, CC Hong - Bioorganic & medicinal chemistry letters, 2016 - Elsevier

In silico analysis of inhibitor and substrate binding site of serrapeptidase from serratia marcescens MTCC 8708
NS Kaviyarasi, CN Prashatha… - International Journal of …, 2016 -

Exploring the binding affinity of novel syringic acid analogues and critical determinants of selectivity as potent proteasome inhibitors
S Cheemanapalli, CM Anuradha… - Anti-Cancer Agents …, 2016 -

Synthesis of 1, 3, 4-oxadiazoles as promising anticoagulant agents
VB Iyer, BM Gurupadayya, B Inturi, GV Pujar - RSC Advances, 2016 -

Structure–activity relationship of novel series of 1, 5-disubstituted tetrazoles as cyclooxygenase-2 inhibitors: Design, synthesis, bioassay screening and molecular …
BJ Al-Hourani, W Al-Awaida, KZ Matalka… - Bioorganic & medicinal …, 2016 - Elsevier

A Revisited Definition of the Three Solute Descriptors Related to the Van der Waals Forces in Solutions
P Laffort - Open Journal of Physical Chemistry, 2016 -

Molecular docking and molecular dynamics studies to identify potential OXA-10 extended spectrum β-lactamase non-hydrolysing inhibitors for pseudomonas …
K Malathi, S Ramaiah - Cell biochemistry and biophysics, 2016 - Springer

Novel Potent Plasmepsin-I (PMI) Inhibitors: An In-Silico Approach
K Kumar Chaudhary, U Raj… - Current …, 2016 -

Molecular mechanisms of endocrine and metabolic disruption: An in silico study on antitrypanosomal natural products and some derivatives
Z Hu, J Wahl, M Hamburger, A Vedani - Toxicology letters, 2016 - Elsevier

1-Substituted carbamoyl and thiocarbamoyl-4, 5-dihydro-1H-pyrazoles as possible cytotoxic and antimicrobial agents
KA Khan, HM Faidallah - Journal of enzyme inhibition and …, 2016 - Taylor & Francis

Efficient Synthesis, Characterization, In Vitro Antibacterial and Antifungal Activity Study and Computational Tool for Prediction of Molecular Properties of Some Novel …
HN Chopde, JS Meshram… - Journal of …, 2016 - Wiley Online Library

Enzymatically triggered release of dye model compounds from zein particles
M Nieuwland, NE Papen-Bottenhuis, WC Drost… - Industrial Crops and …, 2016 - Elsevier

Synthesis and Antitumor Evaluation of New Cyclohepta [b] Thiophene Analogs
SA Abdel-Rahman, NS El-Gohary… - Journal of …, 2016 -

Rejection of caffeine and carbamazepine by surface-coated PVDF hollow-fiber membrane system
O Ojajuni, S Holder, G Cavalli, J Lee… - Industrial & …, 2016 - ACS Publications

Diseño de Agentes Antivirales de Acción Directa inhibidores de la Proteasa de Serina NS3-4A y la Polimerasa NS5B RNA dependiente para el tratamiento de …

A first principles investigation on the electron donor ability of synthetic melatonin derivatives: implications for their antioxidant activity
A Galano - Theoretical Chemistry Accounts, 2016 - Springer

Design, synthesis, and AChE inhibitory activity of new benzothiazole–piperazines
ÜD Özkay, ÖD Can, BN Sağlık, UA Cevik… - Bioorganic & medicinal …, 2016 - Elsevier

P Rishishwar, B Ahmed, A Samad - 2016 -

Anti-proliferative and computational studies of two new pregnane glycosides from Desmidorchis flava
MA Raees, H Hussain, A Al-Rawahi, R Csuk… - Bioorganic …, 2016 - Elsevier

Fragment-based whole cell screen delivers hits against M. tuberculosis and non-tuberculous mycobacteria
W Moreira, JJ Lim, SY Yeo, PM Ramanujulu… - Frontiers in …, 2016 -

Four Component One Pot Synthesis of Spiro Pyrazolo Pyrimidine Derivatives by Using Recyclable Nano Copper Ferrite Catalyst and their Antibacterial Studies
M Krishna Kumar, V Rao -

Design, synthesis and evaluation of pyrazole derivatives as non-nucleoside hepatitis B virus inhibitors
H Jia, F Bai, N Liu, X Liang, P Zhan, C Ma… - European journal of …, 2016 - Elsevier

Design, synthesis and computational evaluation of a novel intermediate salt of N-cyclohexyl-N-(cyclohexylcarbamoyl)-4-(trifluoromethyl) benzamide as potential …
V Natchimuthu, S Bandaru, A Nayarisseri… - … biology and chemistry, 2016 - Elsevier

An in silico study of novel fluoroquinolones as inhibitors of DNA gyrase of staphylococcus aureus
G Sabbagh, T Murad - International Journal of Pharmacy …, 2016 -

Elaborated studies on nano-sized homo-binuclear Mn(II), Fe(III), Co(II), Ni(II), and Cu(II) complexes derived from N2O2 Schiff base, thermal, molecular modeling …
RK Shah, KS Abou-Melha, FA Saad, T Yousef… - Journal of Thermal …, 2016 - Springer

Persistence of a self-complementary N–H⋯ N tape motif in chloro-s-triazine crystals: crystal structures of simazine and atrazine herbicides and their polymorphic and …
T Le, M Bhadbhade, J Gao, JM Hook, CE Marjo - CrystEngComm, 2016 -

Synthesis and cytotoxicity evaluation of aryl triazolic derivatives and their hydroxymethine homologues against B16 melanoma cell line
S Kalhor-Monfared, C Beauvineau, D Scherman… - European journal of …, 2016 - Elsevier

Evaluation Of New Drug Candidature of Usnic Acid Derivatives As Selective Bcl-2 Inhibitors: Computational Designing And Molecular Docking
RLR Lubis, A Najiba, Z Abidinb -

Conjugation of N-acylhydrazone and 1,2,4-oxadiazole leads to the identification of active antimalarial agents
JM dos Santos Filho, TS Macedo, HMP Teixeira… - Bioorganic & medicinal …, 2016 - Elsevier

Structure and POM analyses of 2-{(2Z)-2-[(2R)-2-ethoxy-4-oxo-2H-chromen-3 (4H)-ylidene] hydrazinyl} benzonitrile with promising parasitological activity
K Al-Zaydi, SM Alshehri, TB Hadda - Research on Chemical Intermediates, 2016 - Springer

Computational analysis for antimicrobial active pyrano [2, 3-d] pyrimidine derivatives on the basis of theoretical and experimental ground
AR Bhat, RS Dongre, AH Shalla… - Journal of the …, 2016 - Taylor & Francis

O-bridged and paddlewheel copper (II) carboxylates as potent DNA intercalator: Synthesis, physicochemical characterization, electrochemical and DNA binding …
M Iqbal, M Sirajuddin, S Ali, M Sohail, MN Tahir - Inorganica Chimica Acta, 2016 - Elsevier

Candidate Molecule Selection Based on In Silico Predicted ADMET Properties of 12 Indenoindole Derivatives
N Guragossian, GJ Gozzi, B Fouillet… - Chemical …, 2016 -

Synthesis, molecular properties, toxicity and biological evaluation of some new substituted imidazolidine derivatives in search of potent anti-inflammatory …
A Husain, A Ahmad, SA Khan, M Asif, R Bhutani… - Saudi Pharmaceutical …, 2016 - Elsevier

B VISWANATHAN, S TK, AR CHIDA… - Asian J Pharm Clin …, 2016 -

Pharmacokinetics, tissue distribution and protein binding studies of chrysocauloflavone I in rats
SF Yang, PY Shi, XM Huang, MF Zhao, SG Li, YJ Wu… - Planta …, 2016 -

Novel armed pyrazolobenzothiazine derivatives: synthesis, X-ray crystal structure and POM analyses of biological activity against drug resistant clinical isolate of …
Z Sajid, M Ahmad, S Aslam, UA Ashfaq… - Pharmaceutical …, 2016 - Springer

A bench-top catalyst: BF3·SiO2-assisted synthesis, biological assay, and computational simulations of azacholestanes
AU Khan, M Alam, DU Lee - Applied Biological Chemistry, 2016 - Springer

In-silico designing of novel camptothecin analogues as potent inhibitors of topoisomerase I: a molecular docking, QSAR, and ADME-T study
D Raghav, B Maniyadath, A Mohan… - Letters in Drug …, 2016 -

Informatics in Medicine Unlocked
AB Gurung, A Bhattacharjee, MA Ali, S Vijayakumar… -

Evaluation of Antibacterial Activity and Reactive Species Generation of N-Benzenesulfonyl Derivatives of Heterocycles
SR Martínez, GE Miana, I Albesa… - Chemical and …, 2016 -

Determination of formation constants and structural characterization of cyclodextrin inclusion complexes with two phenolic isomers: carvacrol and thymol
M Kfoury, D Landy, S Ruellan, L Auezova… - Beilstein journal of …, 2016 -

Exploration of Anticancer Potential of Spiropyranopyrazole Derivatives as CDK7 Inhibitors
MS Bhatia, SS Kumbhar… - Journal of …, 2016 - journalofpharmaceuticalresearch …

Viral Inhibition Mechanism Mediated by Surface-Modified Silica Nanoparticles
JM de Souza e Silva, TDM Hanchuk… - … Applied Materials & …, 2016 - ACS Publications

Design, synthesis and anti-diabetic activity of some novel xanthone derivatives targeting α-glucosidase
PS Bairy, A Das, LM Nainwal, TK Mohanta… - Bangladesh J …, 2016 -

Exposure to gemfibrozil and atorvastatin affects cholesterol metabolism and steroid production in zebrafish (Danio rerio)
AA Al-Habsi, A Massarsky, TW Moon - Comparative Biochemistry and …, 2016 - Elsevier

Synthesis and activity of novel homodimers of Morita–Baylis–Hillman adducts against Leishmania donovani: A twin drug approach
WAV da Silva, DC Rodrigues, RG de Oliveira… - Bioorganic & medicinal …, 2016 - Elsevier

KCNE1 induces fenestration in the Kv7. 1/KCNE1 channel complex that allows for highly specific pharmacological targeting
E Wrobel, I Rothenberg, C Krisp, F Hundt… - Nature …, 2016 -

Exploring the physicochemical profile and the binding patterns of selected novel anticancer Himalayan plant derived active compounds with macromolecular …
AB Gurung, A Bhattacharjee, MA Ali - Informatics in Medicine Unlocked, 2016 - Elsevier

Virtual Screening Peptida Bioaktif Antihipertensi dari Hidrolisat Kasein Susu Kambing Etawa
S Hermanto - ALCHEMY, 2016 -

Foldamer-mediated manipulation of a pre-amyloid toxin
S Kumar, M Birol, DE Schlamadinger, SP Wojcik… - Nature …, 2016 -

Identification of a New Series of Potent Adenosine A2A Receptor Antagonists Based on 4-Amino-5-carbonitrile Pyrimidine Template for the Treatment of Parkinson's …
Z Yang, L Li, J Zheng, H Ma, S Tian, J Li… - ACS chemical …, 2016 - ACS Publications

POM analyses and evaluation of in vitro antimicrobial, antitumor activity of 4H-pyrimido [2, 1-b] benzothiazole derivatives
PK Sahu, PK Sahu, P Samadhiya, PL Sahu… - Medicinal Chemistry …, 2016 - Springer

In silico analyses of epicoccamides on selected Leishmania trypanothione reductase enzyme-based target
N Fatima, A Mumtaz, R Shamim, MI Qadir… - Indian Journal of …, 2016 -

Lipophilicity analysis of newly synthetized quinobenzothiazines by use of TLC
A Zięba, K Bober - Journal of Liquid Chromatography & Related …, 2016 - Taylor & Francis

Synthesis, antioxidant, antibacterial, and DFT study on a coumarin based salen-type Schiff base and its copper complex
V Sharma, EK Arora, S Cardoza - Chemical Papers, 2016 -

1, 2, 3-Triazole incorporated coumarin derivatives as potential antifungal and antioxidant agents
MH Shaikh, DD Subhedar, FAK Khan… - Chinese Chemical …, 2016 - Elsevier

Design, synthesis and biological evaluation of novel hydroxamic acids bearing artemisinin skeleton
VT Ha, VT Kien, VD Tien, NTT My, NH Nam, M Baltas… - Bioorganic …, 2016 - Elsevier

Pharmacological investigation of mono-, di-and tri-organotin (IV) derivatives of carbodithioates: Design, spectroscopic characterization, interaction with SS-DNA and …
M Sirajuddin, S Ali, MN Tahir - Inorganica Chimica Acta, 2016 - Elsevier

Design and discovery of Novel Thiazole acetamide derivatives as anticholinesterase agent for possible role in the management of Alzheimer's
ZQ Sun, LX Tu, FJ Zhuo, SX Liu - Bioorganic & medicinal chemistry letters, 2016 - Elsevier

Design, synthesis and evaluation of specific TNF-α inhibitory novel dithioic acid derivative from natural acids as anti-inflammatory agents
KP Deepu -

Synthesis and cytotoxic evaluation of 7-chloro-4-phenoxyquinolines with formyl, oxime and thiosemicarbazone scaffolds
VV Kouznetsov, F Sojo, FA Rojas-Ruiz… - Medicinal Chemistry …, 2016 - Springer

Discovery of a potential lead compound for treating leprosy with dapsone resistance mutation in M. leprae folP1
J Nisha, K Ramanathan, FN Khan… - Molecular …, 2016 -

Quantitative structure-activity relationship studies for potential Rho-associated protein kinase inhibitors
GC Gajo, TM de Assis, LC Assis, TC Ramalho… - Journal of …, 2016 -

MFPPI–Multi FASTA ProtParam Interface
VK Garg, H Avashthi, A Tiwari, PA Jain… - …, 2016 -

Antileishmanial activity of novel indolyl–coumarin hybrids: Design, synthesis, biological evaluation, molecular docking study and in silico ADME prediction
JN Sangshetti, FAK Khan, AA Kulkarni, RH Patil… - Bioorganic & medicinal …, 2016 - Elsevier

Characterization of lipodisc nanoparticles containing sensory rhodopsin II and its cognate transducer from Natronomonas pharaonis
DV Bagrov, N Voskoboynikova, GA Armeev… - Biophysics, 2016 - Springer

Synthesis of β-lactams via Staudinger reaction using N-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline as a carboxylic acid activator
S Zavar, M Zarei, M Saraei - Synthetic Communications, 2016 - Taylor & Francis

Synthesis and evaluation of chromone-2-carboxamide derivatives as cytotoxic agents and 5-lipoxygenase inhibitors
F Bousejra-ElGarah, B Lajoie, JP Souchard… - Medicinal Chemistry …, 2016 - Springer

Synthesis, molecular properties prediction and cytotoxic screening of 3-(2-aryl-2-oxoethyl)isobenzofuran-1(3H)-ones
AF da Silva Maia, RP Siqueira, FM de Oliveira… - Bioorganic & medicinal …, 2016 - Elsevier

1, 2, 3-Triazole tethered acetophenones: Synthesis, bioevaluation and molecular docking study
MH Shaikh, DD Subhedar, VM Khedkar, PC Jha… - Chinese Chemical …, 2016 - Elsevier

Synthesis, characterization, antimicrobial screening and computational studies of 4-[3-(4-methoxy-phenyl)-allylideneamino]-1, 5-dimethyl-2-phenyl-1, 2-dihydro …
LN Obasi, GU Kaior, L Rhyman, IA Alswaidan… - Journal of Molecular …, 2016 - Elsevier

Design, synthesis, and structure–activity relationship of novel and effective apixaban derivatives as FXa inhibitors containing 1, 2, 4-triazole/pyrrole derivatives as P2 …
Y Wang, X Sun, D Yang, Z Guo, X Fan, M Nie… - Bioorganic & medicinal …, 2016 - Elsevier

Design and synthesis of novel HDAC8 inhibitory 2, 5-disubstituted-1, 3, 4-oxadiazoles containing glycine and alanine hybrids with anti cancer activity
VR Pidugu, NS Yarla, SR Pedada, AM Kalle… - Bioorganic & medicinal …, 2016 - Elsevier

Synthesis of Xylitan Derivatives and Preliminary Evaluation of in Vitro Trypanocidal Activity
PR Elias, GS Coelho, VF Xavier, PA Sales Junior… - Molecules, 2016 -

Computational Study of Molecular Electrostatic Potential, Drug Likeness Screening and Structure-Activity/Property Relationships of Thiazolidine-2, 4-Dione …
S Medjahed, S Belaidi, S Djekhaba… - Journal of …, 2016 -

Therapeutics insight with inclusive immunopharmacology explication of human rotavirus a for the treatment of Diarrhea
MU Hossain, A Hashem, CA Keya… - Frontiers in …, 2016 -

Molecular dynamic screening sesquiterpenoid pogostemon herba as suggested cyclooxygenase inhibitor
SJ Raharjo, T Kikuchi - Acta Informatica Medica, 2016 -

Anticancer potential of isolated phytochemicals from Ocimum sanctum against breast cancer: In silico Molecular docking approach
A Paula, MSH Kabira, MMN Uddina, M Mominur - 2016 -

Design and microwave assisted synthesis of novel 2-phenyl/2-phenylethynyl-3-aroyl thiophenes as potent antiproliferative agents
RK Gill, R Kaur, V Kumar, V Gupta, G Singh… - MedChemComm, 2016 -

Synthesis and evaluation of novel 1, 2, 3-triazole-based acetylcholinesterase inhibitors with neuroprotective activity
JC Li, J Zhang, MC Rodrigues, DJ Ding… - Bioorganic & medicinal …, 2016 - Elsevier

Predictive Qualitative Structure-Property/Activity Relationships for Drug Design in Some of Antimycobacterial Pyrrole Derivatives
S Belaidi, H Belaidi, A Kerassa, M Saoula… - Quantum …, 2016 -

Bacterial Peptide deformylase inhibition of cyano substituted biaryl analogs: Synthesis, in vitro biological evaluation, molecular docking study and in silico ADME …
FAK Khan, RH Patil, DB Shinde… - Bioorganic & medicinal …, 2016 - Elsevier

Identifying potential PPARγ agonist/partial agonist from plant molecules to control type 2 diabetes using in silico and in vivo models
A Stalin, SS Irudayaraj, DR Kumar… - Medicinal Chemistry …, 2016 - Springer

Expeditious synthesis, antileishmanial and antioxidant activities of novel 3-substituted-4-hydroxycoumarin derivatives
Z Zaheer, FAK Khan, JN Sangshetti, RH Patil - Chinese Chemical Letters, 2016 - Elsevier

Synthesis of selected 3-and 4-arylcoumarin derivatives and evaluation as potent antioxidants
O Danis, S Demir, C Gunduz, MM Alparslan… - Research on Chemical …, 2016 - Springer

Studies on some metal complexes of quinoxaline based unsymmetric ligand: Synthesis, spectral characterization, in vitro biological and molecular modeling studies
CJ Dhanaraj, J Johnson - Journal of Photochemistry and Photobiology B …, 2016 - Elsevier

Investigations on Molecular Structure, Electronic Properties, NLO Properties and Comparison of Drug-Likeness of Triazolothiadiazole Derivatives by Quantum …
A Kerassa, S Belaidi, D Harkati, T Lanez… - Reviews in …, 2016 -

Molecular Docking Of Macarangin From Isolated Macaranga Denticulata With Two Targets Related To Diabetes
MSH Kabira, A Hasanataa, MM Hossaina, MM Nasir… -

In-Silico Study of Novel Folate Analogues as Anticancer which Inhibits Dihydrofolate Reductase
DYL Prayoga, RA Septiawan, E Jingga… - Science and …, 2016 -

A bioinformatics approach reveals the insecticidal property of Morinda tinctoria Roxb. against the cotton bollworm Helicoverpa armigra
A Praveena, KP Sanjayan - Research Journal of Pharmacy …, 2016 -

BV BHASKAR… - Int J Curr Pharm … -

Metronidazole derivatives as a new class of Antiparasitic agents, molecular properties prediction, synthesis and biological testing
A Dua'Y, TB Hadda, MS Mubarak -

Testing of 2-phenyliminothiazole derivatives for compliance with “Drug likeness” concept
HO Yeromina, ZG Ieromina, OV Kiz, LO Perekhoda - 2016 -

This poster got first prize
M Alagumuthu, S Arumugam -

Design, synthesis and biological screening of new 4-thiazolidinone derivatives with promising COX-2 selectivity, anti-inflammatory activity and gastric safety profile
KRA Abdellatif, MA Abdelgawad, HAH Elshemy… - Bioorganic …, 2016 - Elsevier

New 2-Aminothiazoline derivatives lower blood pressure of spontaneously hypertensive rats (SHR) via I1-imidazoline and alpha-2 adrenergic receptors activation
RB Ferreira, MG De Oliveira, E Antunes… - European journal of …, 2016 - Elsevier

Metabolic profile of anhydrosafflor yellow B in rats by ultra-fast liquid chromatography/quadrupole time-of-flight mass spectrometry
S Yue, L Wu, J Wang, Y Tang, C Qu, X Shi… - … of Chromatography B, 2016 - Elsevier

Novel amalgamation of phthalazine–quinolines as biofilm inhibitors: one-pot synthesis, biological evaluation and in silico ADME prediction with favorable metabolic …
Z Zaheer, FAK Khan, JN Sangshetti, RH Patil… - Bioorganic & medicinal …, 2016 - Elsevier

Systems toxicology: Systematic approach to predict toxicity
NA Kiani, MM Shang, J Tegnér - Current pharmaceutical …, 2016 -

An integrated optical Bragg grating refractometer for volatile organic compound detection
DJ Wales, RM Parker, P Quainoo, PA Cooper… - Sensors and Actuators B …, 2016 - Elsevier

Role of Combinatorial Chemistry in the Field of New Drug Design
R Gauro, M Gupta, PK Goyal, B Vyas - 2016 -

Organic additives stabilize RNA aptamer binding of malachite green
Y Zhou, H Chi, Y Wu, RS Marks, TWJ Steele - Talanta, 2016 - Elsevier

Macrocyclic Prodrugs of a Selective Nonpeptidic Direct Thrombin Inhibitor Display High Permeability, Efficient Bioconversion but Low Bioavailability
V Andersson, F Bergström, J Brånalt… - Journal of medicinal …, 2016 - ACS Publications

Synthesis, ADME studies, toxicity estimation, and exploration of molecular recognition of thiophene based chalcones towards monoamine oxidase-A and B
B Mathew, J Suresh, GE Mathew, A Haridas… - Beni-Suef University …, 2016 - Elsevier

Molecular docking study to evaluate the carcinogenic
AMPG Ilia - 2016 -

Integrated systems biology and chemical biology approach to exploring mechanisms of traditional chinese medicines
G Bai, Y Hou, M Jiang, J Gao - Chinese Herbal Medicines, 2016 - Elsevier

Linear Regression Analysis and Validation Studies of Insulin-Like Growth Factor (IGF-1) Receptor Inhibitors
R Rambabu, PS Rao - i-Manager's Journal on Information …, 2016 -

B Thomas, J Harindran - International Journal of Pharmaceutical Sciences …, 2016 -

Study of binding interaction between anthelmintic 2, 3-dihydroquinazolin-4-ones with bovine serum albumin by spectroscopic methods
K Hemalatha, G Madhumitha - Journal of Luminescence, 2016 - Elsevier

[Et3NH][HSO4]-catalyzed one-pot, solvent-free synthesis and biological evaluation of α-amino phosphonates
MH Shaikh, DD Subhedar, FAK Khan… - Research on Chemical …, 2016 - Springer

Structural requirements for potential HIV-integrase inhibitors identified using pharmacophore-based virtual screening and molecular dynamics studies
MA Islam, TS Pillay - Molecular BioSystems, 2016 -

Solubility, photostability and antifungal activity of phenylpropanoids encapsulated in cyclodextrins
M Kfoury, ALH Sahraoui, N Bourdon, F Laruelle… - Food chemistry, 2016 - Elsevier

Synthesis, antitumor and antimicrobial activity of some new 6-methyl-3-phenyl-4(3H)-quinazolinone analogues: in silico studies
AM Alanazi, AAM Abdel-Aziz, TZ Shawer… - Journal of enzyme …, 2016 - Taylor & Francis

Synthesis, characterization and biological activities of 3-aryl-1, 4-naphthoquinones–green palladium-catalysed Suzuki cross coupling
AR Louvis, NAA Silva, FS Semaan… - New Journal of …, 2016 -

Design, synthesis, and molecular docking studies of a conjugated thiadiazole–thiourea scaffold as antituberculosis agents
E Tatar, S Karakuş, ŞG Küçükgüzel… - Biological and …, 2016 -

Applying medicinal chemistry strategies to understand odorant discrimination
E Poivet, Z Peterlin, N Tahirova, L Xu… - Nature …, 2016 -

Macromolecular Brushes as Stabilizers of Hydrophobic Solute Nanoparticles
H Luo, D Raciti, C Wang… - Molecular …, 2016 - ACS Publications

Polyphenolic glycosides isolated from Pogostemon cablin (Blanco) Benth. as novel influenza neuraminidase inhibitors
F Liu, W Cao, C Deng, Z Wu, G Zeng, Y Zhou - Chemistry Central Journal, 2016 - Springer

Four-component, one-pot synthesis of spiropyrazolo pyrimidine derivatives by using recyclable nanocopper ferrite catalyst and antibacterial studies
RK Ganta, A Ramgopal, C Ramesh… - Synthetic …, 2016 - Taylor & Francis

Synthesis of some novel 2-substituted benzothiazole derivatives containing benzylamine moiety as monoamine oxidase inhibitory agents
B Kaya, BN Sağlık, S Levent, Y Özkay… - Journal of enzyme …, 2016 - Taylor & Francis

Small molecule ligand docking to genotype specific bundle structures of hepatitis C virus (HCV) p7 protein
N Laasch, MM Kalita, S Griffin, WB Fischer - Computational biology and …, 2016 - Elsevier

Prediction of kinase-inhibitor binding affinity using energetic parameters
S Usha, S Selvaraj - Bioinformation, 2016 -

Correlations between molecular parameters of guest substances and their effect on model lipid membranes
AO Sadchenko, OV Vashchenko, NA Kasian… - Functional …, 2016 -

Synthesis, biological evaluation and molecular docking of novel coumarin incorporated triazoles as antitubercular, antioxidant and antimicrobial agents
MH Shaikh, DD Subhedar, BB Shingate… - Medicinal Chemistry …, 2016 - Springer

A theoretical study of 8-chloro-9-hydroxy-aflatoxin B1, the conversion product of aflatoxin B1 by neutral electrolyzed water
R Escobedo-González, A Méndez-Albores… - Toxins, 2016 -

Synthesis of novel 7-fluoro-3-substituted-1, 2, 4-triazolo [3, 4-b] benzothiazoles (FTBs) as potent antifungal agents: molecular docking and in silico evaluation
S Kukreja, A Sidhu, VK Sharma - Research on Chemical Intermediates, 2016 - Springer

Determination of the lipophilicity of quinolinesulfonamides by reversed-phase HPLC and theoretical calculations
K Marciniec, J Bafeltowska… - Journal of Liquid …, 2016 - Taylor & Francis

K Priyanka, D Rajesh, K Sudharani… - Journal of …, 2016 -

Synthesis and bioactivity of novel triazole incorporated benzothiazinone derivatives as antitubercular and antioxidant agent
MH Shaikh, DD Subhedar, M Arkile, VM Khedkar… - Bioorganic & medicinal …, 2016 - Elsevier

Molecular Properties and Insilico Neuroprotective Activity of Eugenol Against Glutamate Metabotrophic Receptors
J Prabhu, G Bupesh, K Prabhu, VS Kalaiselvi… - Int J Pharma Rev …, 2016 -

Antimicrobial Properties of Tris (homoleptic) Ruthenium (II) 2-Pyridyl-1, 2, 3-triazole “Click” Complexes against Pathogenic Bacteria, Including Methicillin-Resistant …
SV Kumar, SØ Scottwell, E Waugh… - Inorganic …, 2016 - ACS Publications

Integrative approaches for identification of novel ISCL inhibitors in Leishmaniasis: A computational insight into the structure
V Mandlik, S Singh - Gene Reports, 2016 - Elsevier

Pharmacological evaluation of novel 1-[4-(4-benzo [1, 3] dioxol-5-ylmethyl-piperazin-1-yl)-phenyl]-3-phenyl-urea as potent anticonvulsant and antidepressant agent
S Kumari, CB Mishra, M Tiwari - Pharmacological Reports, 2016 - Elsevier

Erythrosine B in the environment. Removal processes
LC APOSTOL, M GAVRILESCU - Food and Environment Safety Journal, 2016 -

Molecular Properties and Insilico Neuroprotective Activity of Eugenol Against Glutamate Metabotrophic Receptors
G Bupesh, K Meenakumari, J Prabhu, K Prabhu… -

Design and anti-HIV activity of arylsulphonamides as non-nucleoside reverse transcriptase inhibitors
A Singh, M Yadav, R Srivastava, N Singh… - Medicinal Chemistry …, 2016 - Springer

Identification of “Multiple Components-Multiple Targets-Multiple Pathways” Associated with Naoxintong Capsule in the Treatment of Heart Diseases Using UPLC/Q …
X Ma, B Lv, P Li, X Jiang, Q Zhou, X Wang… - … and Alternative Medicine, 2016 -

Flurbiprofen–antioxidant mutual prodrugs as safer nonsteroidal anti-inflammatory drugs: synthesis, pharmacological investigation, and computational …
Z Ashraf, MK Alamgeer, M Hassan… - Drug design …, 2016 -

Integrated computational approach for virtual hit identification against ebola viral proteins VP35 and VP40
MU Mirza, N Ikram - International journal of molecular sciences, 2016 -

The Structure–Photosynthesis-Inhibiting Activity Relationships of the Compounds Containing the N-Arylpiperazine Moiety
I Malík, F Šeršeň, J Csöllei, J Jampílek, K Kráľová -

Cyclopropane-1,2-dicarboxylic acids as new tools for the biophysical investigation of O-acetylserine sulfhydrylases by fluorimetric methods and saturation transfer …
G Annunziato, M Pieroni, R Benoni… - Journal of enzyme …, 2016 - Taylor & Francis

Design and synthesis of some new 1-phenyl-3/4-[4-(aryl/heteroaryl/alkyl-piperazine1-yl)-phenyl-ureas as potent anticonvulsant and antidepressant agents
CB Mishra, S Kumari, M Tiwari - Archives of pharmacal research, 2016 - Springer

Design, Synthesis, and Biological Evaluation of Novel 2‐(Pyridin‐3‐yloxy) acetamide Derivatives as Potential Anti‐HIV‐1 Agents
B Huang, X Li, P Zhan, E De Clercq… - Chemical biology & …, 2016 - Wiley Online Library

Molecular Docking Studies of Sesquiterpenoids against Helicobacter pylori Peptide Deformylase
M Dawood, N Fatima, A Mumtaz, S Rehman, I Shazadi… -

Multivariate assessment of lipophilicity scales—Computational and reversed phase thin-layer chromatographic indices
F Andrić, D Bajusz, A Rácz, S Šegan… - Journal of pharmaceutical …, 2016 - Elsevier

M Banerjee, RR Biswakarma, S Meheboob, SK Sahu - 2016 -

Synthesis and pharmacological evaluation of conformationally restricted κ-opioid receptor agonists
Y Wenker, M Soeberdt, C Daniliuc, S Ständer… - …, 2016 -

Exploration of a Library of 3, 4‐(Methylenedioxy) aniline‐Derived Semicarbazones as Dual Inhibitors of Monoamine Oxidase and Acetylcholinesterase: Design …
RKP Tripathi, GK Rai, SR Ayyannan - ChemMedChem, 2016 - Wiley Online Library

Inhibition of chikungunya virus replication by 1-[(2-methylbenzimidazol-1-yl) methyl]-2-oxo-indolin-3-ylidene] amino] thiourea (mbzm-n-ibt)
P Mishra, A Kumar, P Mamidi, S Kumar, I Basantray… - Scientific reports, 2016 -

study of inositol phosphorylceramide synthase–inhibitor complex in leishmaniasis: Insight into the structure based drug design [version 2; referees: 2 approved]
V Mandlik, S Singh - 2016 -

Molecular docking and molecular dynamics simulation study of inositol phosphorylceramide synthase–inhibitor complex in leishmaniasis: Insight into the structure …
M Vineetha, S Shailza - F1000Research, 2016 -

Insilico Qsar And Molecular Docking Studies of Selected Medicinal Plant Compounds Against NS5 & NS3 Protein of Dengue Virus: A Comparative Approach
R Mahendran - International Journal of Pharma and Bio Sciences, 2016 -

Synthesis and activity of newly designed aroxyalkyl or aroxyethoxyethyl derivatives of piperazine on the cardiovascular and the central nervous systems
AM Waszkielewicz, M Kubacka, K Pańczyk… - Bioorganic & medicinal …, 2016 - Elsevier

Molecular Docking Study of Some Novel Combination of Tetrahydroimidazo [1, 2-a] pyridine and Trizole Heterocyclics for Anti Staphylococcus Aureus

Marine derived compounds as binders of the White spot syndrome virus VP28 envelope protein: in silico insights from molecular dynamics and binding free energy …
KC Sivakumar, TP Sajeevan, ISB Singh - Computational biology and …, 2016 - Elsevier

Affinity-controlled protein encapsulation into sub-30 nm telodendrimer nanocarriers by multivalent and synergistic interactions
X Wang, C Shi, L Zhang, A Bodman, D Guo, L Wang… - Biomaterials, 2016 - Elsevier

Computational-aided design of melatonin analogues with outstanding multifunctional antioxidant capacity
A Galano - RSC Advances, 2016 -

Synthesis and photophysical studies of new benzo[a]phenoxazinium chlorides as potential antifungal agents
MIPS Leitão, BR Raju, S Naik, PJG Coutinho… - Tetrahedron …, 2016 - Elsevier

DNA binding, cleavage activity, molecular docking, cytotoxicity and genotoxicity studies of newly synthesized copper based metal complexes
AM Dar, MA Khan, S Mir, MA Gatoo - Pharm Anal Acta, 2016 -

Entendendo o processo químico de bioativação da sinvastatina por métodos experimentais e computacionais: uma aula prática
MT Tavaresa, MC Primia… - Química Nova …, 2016 -

An evaluation of the CYP2D6 and CYP3A4 inhibition potential of metoprolol metabolites and their contribution to drug–drug and drug–herb interaction by LC‐ESI/MS …
RM Borkar, MM Bhandi, AP Dubey… - Biomedical …, 2016 - Wiley Online Library

Design, synthesis and biological evaluation of novel 1, 2, 3-triazolyl $$\upbeta $$ β-hydroxy alkyl/carbazole hybrid molecules
MNS Rad, S Behrouz, M Behrouz, A Sami… - Molecular …, 2016 - Springer

KM Krishna, P Lekha, PK Raman, PR Redddy - 2016 -

Pharmacokinetics of Polymersomes Composed of Poly (Butadiene-Ethylene Oxide); Healthy versus Tumor-Bearing Mice
G Wang, RM De Kruijff, D Abou… - Journal of …, 2016 -

Essential oil components decrease pulmonary and hepatic cells inflammation induced by air pollution particulate matter
M Kfoury, M Borgie, A Verdin, F Ledoux… - Environmental chemistry …, 2016 - Springer

Identification of novel bacterial DNA gyrase inhibitors: An in silico study
H Rahimi, A Najafi, H Eslami, B Negahdari… - Research in …, 2016 -

Molecular docking study to evaluate the carcinogenic potential and mammalian toxicity of thiophosphonate pesticides by cluster and discriminant analysis
AM Petrescu, G Ilia - Environmental toxicology and pharmacology, 2016 - Elsevier

Four Compounds Suppressing Growth of Mycobacterium tuberculosis
R Bartzatt, P Sule, W Kim… - … of Advances in …, 2016 -

Synthesis of large Stokes shift and narrow emission indole–triazole–carboxamide peptidomimetics via MCR-click strategy
R Pathoor, D Bahulayan - Tetrahedron Letters, 2016 - Elsevier

Understanding the chemical process related to the bioactivation of simvastatin through experimental and in silico methods: a practical class
MT Tavares, MC Primi, CF Carvalho, MC Polli… - Química …, 2016 - SciELO Brasil

Synthesis and evaluation against Leishmania amazonensis of novel pyrazolo [3, 4-d] pyridazinone-N-acylhydrazone-(bi) thiophene hybrids
AP Jacomini, MJV Silva, RGM Silva… - European journal of …, 2016 - Elsevier

High body clearance and low oral bioavailability of alantolactone, isolated from Inula helenium, in rats: extensive hepatic metabolism and low stability in …
JY Lee, SB Kim, J Chun, KH Song… - … & drug disposition, 2016 - Wiley Online Library

Influence of aqueous dimethyl sulfoxide on pyridoxine protonation and tautomerization
GA Gamov, MN Zavalishin, AY Khokhlova… - Journal of Molecular …, 2016 - Elsevier

Fragment‐Based Protein–Protein Interaction Antagonists of a Viral Dimeric Protease
JE Gable, GM Lee, TM Acker, KR Hulce… - …, 2016 - Wiley Online Library

Microwave-assisted regioselective direct C–H arylation of thiazole derivatives leading to increased σ 1 receptor affinity
A Kokornaczyk, D Schepmann, J Yamaguchi… - …, 2016 -

Novel soluble epoxide hydrolase inhibitors with a dihydropyrimidinone scaffold: design, synthesis and biological evaluation
E Rezaee, M Hedayati, LH Rad, S Shahhosseini… - …, 2016 -

Anuradha Singh, Madhu Yadav, Ritika Srivastava, Nidhi Singh, Rajinder Kaur
SK Gupta -

Dispersant‐free dyeing of poly (lactic acid) fabric with temporarily solubilised disperse dyes from azopyridone derivatives
YK Park, AR Jo, SS Jang, JJ Lee - Coloration Technology, 2016 - Wiley Online Library

Amino‐substituted para‐Benzoquinones as Potential Herbicides
A Nain‐Perez, LCA Barbosa, MC Picanço… - Chemistry & …, 2016 - Wiley Online Library

Design, synthesis and biological evaluation of novel 1, 2, 3-triazolyl [beta]-hydroxy alkyl/carbazole hybrid molecules
M Navid, S Rad, S Behrouz, M Behrouz… - Molecular …, 2016 -

Preliminary evaluation of central nervous system activity of (E)-N-2-methyl-3-phenylprop-2-enyl ((E)-N-α-methylcin-namyl) derivatives of selected aminoalkanols
A Gunia-Krzyzak, K Pytka, K Słoczyńska… - Acta Pol …, 2016 -

Self‐assembly of the cyclic lipopeptide daptomycin: spherical micelle formation does not depend on the presence of calcium chloride
S Kirkham, V Castelletto, IW Hamley, K Inoue… - …, 2016 - Wiley Online Library

Synthese und Chemie neuer antitumoraler Organometallkomplexe
H Kalie -

Synthesis and evaluation of dihydropyrimidinone-derived selenoesters as multi-targeted directed compounds against Alzheimer's disease
FAR Barbosa, RFS Canto, S Saba, J Rafique… - Bioorganic & medicinal …, 2016 - Elsevier

Antioxidant properties of kynurenines: density functional theory calculations
AV Zhuravlev, GA Zakharov… - PLoS computational …, 2016 -

Deuterium Labeling Strategies for Creating Contrast in Structure–Function Studies of Model Bacterial Outer Membranes Using Neutron Reflectometry
AP Le Brun, LA Clifton, SA Holt, PJ Holden… - Methods in …, 2016 - Elsevier

Exploring the scope of new arylamino alcohol derivatives: Synthesis, antimalarial evaluation, toxicological studies, and target exploration
M Quiliano, A Mendoza, KY Fong, A Pabón… - International Journal for …, 2016 - Elsevier

Studies on Some Underutilized Edible Fruits in India
S Mann - 2016 -

The Synthesis of Novel Fluorinated 9-Amino Acridones as Potential Topoisomerase IIα Poisons
A Sledge - 2016 -

Giovanna Cardoso Gajo, Tamiris Maria de Assis, Letícia Cristina Assis
TC Ramalho, EFF da Cunha - 2016 -

Synthesis, anticancer activity and photostability of novel 3-ethyl-2-mercapto-thieno [2, 3-d] pyrimidin-4 (3H)-ones
AT Mavrova, S Dimov, D Yancheva, M Rangelov… - European journal of …, 2016 - Elsevier

Synthesis, anti-inflammatory, ulcerogenic and cyclooxygenase activities of indenopyrimidine derivatives
SS Undare, NJ Valekar, AA Patravale… - Bioorganic & medicinal …, 2016 - Elsevier

Quantitative structure retention/activity relationships of biologically relevant 4-amino-7-chloroquinoline based compounds
S Šegan, I Opsenica, M Zlatović… - … of Chromatography B, 2016 - Elsevier

The adrenal specific toxicant mitotane directly interacts with lipid membranes and alters membrane properties depending on lipid composition
HA Scheidt, I Haralampiev, S Theisgen… - Molecular and cellular …, 2016 - Elsevier

Synthesis and crystal structure of N-[(dimethylamino)methylidene]-4-[1-(4-nitrophenyl)-1H-tetrazol-5-yl]-benzenesulfonamide: Molecular docking and bioassay …
BJ Al-Hourani, MI El-Barghouthi, R McDonald… - Journal of Molecular …, 2016 - Elsevier

Design, synthesis, characterization and biological evaluation of anti-tubercular agents targeting mtfab d, malonyl coa-acyl carrier protein transacylase
PR Surya, AJ Suresh - EJPMR, 2016 -

Discovery of novel dengue NS2B/NS3 protease inhibitors using pharmacophore modeling and molecular docking based virtual screening of the zinc …
MTU Qamar, S Kiran, UA Ashfaq, MR Javed, F Anwar… - Int. J. Pharmacol, 2016 -

Synthesis and evaluation of thiophene-based guanylhydrazones (iminoguanidines) efficient against panel of voriconazole-resistant fungal isolates
V Ajdačić, L Senerovic, M Vranić, M Pekmezovic… - Bioorganic & medicinal …, 2016 - Elsevier

[Et3NH][HSO4] catalyzed efficient synthesis of 5-arylidene-rhodanine conjugates and their antitubercular activity
DD Subhedar, MH Shaikh, L Nawale, A Yeware… - Research on Chemical …, 2016 - Springer

Study of the slope of the linear relationship between retention and mobile phase composition (Snyder-Soczewiñski model) in normal phase liquid chromatography …
D Wu, CA Lucy - Journal of Chromatography A, 2016 - Elsevier

Toxicity study of dibutyl phthalate of Rubia cordifolia fruits: in vivo and in silico analysis
A Anantharaman, RR Priya… - Environmental …, 2016 - Wiley Online Library

Cytotoxicity studies of coumarin analogs: design, synthesis and biological activity
KV Sairam, BM Gurupadayya, BI Vishwanathan… - RSC Advances, 2016 -

To appear in: Informatics in Medicine Unlocked
AB Gurung, A Bhattacharjee, MA Ali - 2016 -

macromolecular targets, Informatics in Medicine Unlocked
AB Gurung, A Bhattacharjee, MA Ali - 2016 -

Software and web resources for computer-aided molecular modeling and drug discovery
DK Yadav, P Rai, R Pratap… - … and Research: QSAR in …, 2016 -

Design, synthesis and biological evaluation of chalconyl blended triazole allied organosilatranes as giardicidal and trichomonacidal agents
G Singh, A Arora, SS Mangat, S Rani, H Kaur… - European journal of …, 2016 - Elsevier

Стимулятори ферментативної активності спиртових дріжджів
ЛЯ Паляниця, НО Паньків, РБ Косів, НІ Березовська… - 2016 -

Molecular Modeling, Synthesis, and Anti‐HIV Activity of Novel Isoindolinedione Analogues as Potent Non‐nucleoside Reverse Transcriptase Inhibitors
G Kumari, RK Singh - Chemical biology & drug design, 2016 - Wiley Online Library

In silico exploration of cyclooxygenase inhibitory activity of natural compounds found in Myrica nagi using LC-MS
SK Middha, AK Goyal, A Bhardwaj, R Kamal, P Lokesh… - Symbiosis, 2016 - Springer

Inhibition of Mycobacterium-RmlA by molecular modeling, dynamics simulation, and docking
N Harathi, M Pulaganti, CM Anuradha… - Advances in …, 2016 -

Synthesis and evaluation of novel serotonin 4 receptor radiotracers for single photon emission computed tomography
J Lalut, BB Tournier, T Cailly, C Lecoutey… - European journal of …, 2016 - Elsevier

Interaction of fluorescent phospholipids with cyclodextrins
M Denz, I Haralampiev, S Schiller, L Szente… - Chemistry and physics …, 2016 - Elsevier

2-Amino-2,3-dihydro-1H-2λ5-[1,3,2]diazaphospholo[4,5-b]pyridin-2-one-based urea and thiourea derivatives: synthesis, molecular docking study and evaluation of …
SR Devineni, M Golla, NR Chamarthi, B Meriga… - Medicinal Chemistry …, 2016 - Springer

Exploring coumarin potentialities: development of new enzymatic inhibitors based on the 6-methyl-3-carboxamidocoumarin scaffold
A Fonseca, MJ Matos, J Reis, Y Duarte, M Gutierrez… - RSC Advances, 2016 -

In silico identification of putative bifunctional Plk1 inhibitors by integrative virtual screening and structural dynamics approach
S Shafique, N Bibi, S Rashid - Journal of theoretical biology, 2016 - Elsevier

1, 3-diphenylpropan-1-ones as allosteric modulators of α7 nACh receptors with analgesic and antioxidant properties
M Criado, B Balsera, J Mulet, S Sala, F Sala… - Future medicinal …, 2016 - Future Science

Synthesis, and prediction of molecular properties and antimicrobial activity of some acylhydrazones derived from -(arylsulfonyl)methionine
E Tatar, S ŞENKARDEŞ, HE Sellitepe… - Turkish Journal of …, 2016 -

Development of a Novel Nonpeptidic 18F-Labeled Radiotracer for in Vivo Imaging of Oxytocin Receptors with Positron Emission Tomography
B Wenzel, J Mollitor, W Deuther-Conrad… - Journal of Medicinal …, 2016 - ACS Publications

2-Oxo-1, 2-dihydropyridinyl-3-yl amide-based GPa inhibitors: Design, synthesis and structure-activity relationship study
WA Loughlin, ID Jenkins, ND Karis… - European journal of …, 2016 - Elsevier

AJ Suresh, R Kalaiselvi, N Ramya, PR Surya -

Bioassay-guided isolation and POM analyses of a new immunomodulatory polyphenolic constituent from Callistemon viridiflorus
MIS Abdelhady, AM Kamal, A Rauf… - Natural product …, 2016 - Taylor & Francis

Design, synthesis and evaluation of novel indandione derivatives as multifunctional agents with cholinesterase inhibition, anti-β-amyloid aggregation, antioxidant and …
CB Mishra, A Manral, S Kumari, V Saini… - Bioorganic & medicinal …, 2016 - Elsevier

The interaction of sorafenib and regorafenib with membranes is modulated by their lipid composition
I Haralampiev, HA Scheidt, T Abel, M Luckner… - … et Biophysica Acta (BBA …, 2016 - Elsevier

Protolytic and tautomeric equilibria of pyridoxine in aqueous ethanol
GA Gamov, AY Khokhlova, AS Gushchina… - The Journal of Chemical …, 2016 - Elsevier

Synthesis, in vitro Antiproliferative and Anti-Mycobacterium tuberculosis Activities of Novel β-Carboline Derivatives
FMF Moreira, J Croda, MH Sarragiotto… - Journal of the Brazilian …, 2016 - SciELO Brasil

Design, Synthesis and Antimalarial Activity of Some New 2-Hydroxy-1, 4-naphthoquinone-4-hydroxyaniline Hybrid Mannich Bases.
D Sharma, D Chetia… - Asian Journal of …, 2016 -

Drug conjugation affects pharmacokinetics and specificity of kidney-targeted peptide carriers
M Janzer, G Larbig, A Kübelbeck… - Bioconjugate …, 2016 - ACS Publications

Synthesis, antiamoebic and molecular docking studies of furan-thiazolidinone hybrids
MF Ansari, SM Siddiqui, K Ahmad, F Avecilla… - European journal of …, 2016 - Elsevier

Anti-Inflammatory activity of novel series of isoniazid derivatives
B Thomas, J Harindran… - The Pharma Innovation, 2016 -

Synthesis, antibacterial and antiproliferative potential of some new 1-pyridinecarbonyl-4-substituted thiosemicarbazide derivatives
M Pitucha, M Woś, M Miazga-Karska, K Klimek… - Medicinal Chemistry …, 2016 - Springer

Towards targeting anticancer drugs: ruthenium (ii)–arene complexes with biologically active naphthoquinone-derived ligand systems
M Kubanik, W Kandioller, K Kim, RF Anderson… - Dalton …, 2016 -

Effects of 1,3,5-triphenyl-4,5-dihydro-1H-pyrazole derivatives on cell-cycle and apoptosis in human acute leukemia cell lines
L Santos Bubniak, PC Gaspar… - Canadian journal of …, 2016 - NRC Research Press

In Silico Analyses, Bioequivalence and Disposition Kinetics of Allopurinol in Healthy Male Subjects
SA Sehgal, S AF Khan - Drug Delivery Letters, 2016 -

Organochlorine contaminants in the muscle, liver and brain of seabirds (Larus) from the coastal area of the Southern Baltic
L Falkowska, AR Reindl, A Grajewska… - Ecotoxicology and …, 2016 - Elsevier

Synthesis and pharmacological evaluation of new 3, 4-dihydroisoquinolin derivatives containing heterocycle as potential anticonvulsant agents
HJ Zhang, QK Shen, CM Jin, ZS Quan - Molecules, 2016 -

Carbon-11 and Fluorine-18 Radiolabeled Pyridopyrazinone Derivatives for Positron Emission Tomography (PET) Imaging of Phosphodiesterase-5 (PDE5)
R Chekol, O Gheysens, M Ahamed… - Journal of medicinal …, 2016 - ACS Publications

Chemoinformatics: The stakeholder of Information Solutions for Chemical and Allied Medical Domain
PK Paul, RK Sinha, J Ganguly, DK Bhattacharya… -

Molecular properties prediction and synthesis of new oxadiazole derivatives possessing 3-fluoro-4-methoxyphenyl moiety as potent anti-inflammatory and analgesic …
S Viveka, PS Khandige, GK Nagaraja - Monatshefte für Chemie …, 2016 - Springer

A comparative study of chromatographic behavior and lipophilicity of selected imidazoline derivatives
S Filipic, A Antic, M Vujovic, K Nikolic… - Journal of …, 2016 -

Selenoergothionein as a Potential Inhibitor against Amyloid β-Protein (Aβ): Docking and Molecular Dynamics Studies
MS Saddala, JAP Kiran, VR Patchava… - Int J Biomed Data …, 2016 -

Synthesis, bioevaluation and molecular dynamic simulation studies of dexibuprofen–antioxidant mutual prodrugs
Z Ashraf, R Rasool, M Hassan, H Ahsan… - International journal of …, 2016 -

Structural and biochemical characterization of two heme binding sites on α1-microglobulin using site directed mutagenesis and molecular simulation
S Rutardottir, E Karnaukhova, C Nantasenamat… - … et Biophysica Acta (BBA …, 2016 - Elsevier

The molecular shape and the field similarities as criteria to interpret SAR studies for fragment-based design of platinum (IV) anticancer agents. Correlation of …
J Lorenzo, ÁM Montaña - Journal of Molecular Graphics and Modelling, 2016 - Elsevier

Development of Blood–Brain Barrier Permeable Nitrocatechol-Based Catechol O-Methyltransferase Inhibitors with Reduced Potential for Hepatotoxicity
T Silva, T Mohamed, A Shakeri, PPN Rao… - Journal of medicinal …, 2016 - ACS Publications

Synthesis, biological evaluation and molecular docking studies of N-acylheteroaryl hydrazone derivatives as antioxidant and anti-inflammatory agents
PS Mahajan, MD Nikam, VM Khedkar, PC Jha… - Research on Chemical …, 2016 - Springer

Structure activity relationship, cytotoxicity and evaluation of antioxidant activity of curcumin derivatives
PK Sahu, PK Sahu, PL Sahu, DD Agarwal - Bioorganic & medicinal …, 2016 - Elsevier

Evaluation of Phytochemical compounds from Carica papaya as Potential drugs against Dengue virus: An In silico approach
P Mishra - 2016 -

Optimized method for TAG protein homology modeling: In silico and experimental structural characterization
JS Tomar, RK Peddinti - International journal of biological macromolecules, 2016 - Elsevier

In Silico Elucidation and Inhibition Studies of Selected Phytoligands Against Mitogen-Activated Protein Kinases of Protozoan Parasites
CL Gupta, S Akhtar, N Kumar, J Ali, N Pathak… - Interdisciplinary …, 2016 - Springer

Discovery of novel phenoxazinone derivatives as DKK1/LRP6 interaction inhibitors: Synthesis, biological evaluation and structure–activity relationships
S Thysiadis, S Mpousis, N Avramidis… - Bioorganic & medicinal …, 2016 - Elsevier

Selective synthesis of 10,11-dihydrochromeno[4,3-b]chromene-6,8(7H,9H)-dione using copper oxide nanoparticles for potential inhibitors of β-ketoacyl-[acyl-carrier-protein] …
KT Patil, LS Walekar, SS Undare, GB Kolekar… - 2016 -

Synthesis, biological evaluation and molecular docking studies of some novel indenospiro derivatives as anticancer agents
AA Patravale, AH Gore, GB Kolekar… - Journal of the Taiwan …, 2016 - Elsevier

Multifunctional quinoline-triazole derivatives as potential modulators of amyloid-β peptide aggregation
MR Jones, C Dyrager, M Hoarau, KJ Korshavn… - Journal of inorganic …, 2016 - Elsevier

YK Dewahe, A Chourasiya - International Journal of Pharma …, 2016 -

Síntese e estudo in silico de derivados de naproxeno com potencial atividade anti-inflamatória
HJF Conejo - 2016 -

Novel heteroaryl selenocyanates and diselenides as potent antileishmanial agents
Y Baquedano, V Alcolea, MÁ Toro… - Antimicrobial agents …, 2016 - Am Soc Microbiol

Antibacterial efficacy of fractions and compounds from Indigofera barberi: Identification of DNA gyrase B inhibitors through pharmacophore based virtual screening
BV Bhaskar, AR Mohan, TMC Babu, SS Rajesh… - Process …, 2016 - Elsevier

Fluorine-containing benzothiazole as a novel trypanocidal agent: design, in silico study, synthesis and activity evaluation
RI Cuevas-Hernández, J Correa-Basurto… - Medicinal Chemistry …, 2016 - Springer

3′-O- and 5′-O-Propargyl Derivatives of 5-Fluoro-2′-Deoxyuridine: Synthesis, Cytotoxic Evaluation and Conformational Analysis
D Baraniak, D Baranowski, P Ruszkowski… - … and Nucleic Acids, 2016 - Taylor & Francis

Changes in the luminescence emission of α, β-unsaturated acrylonitrile derivatives: morphology, polymorphism and solvent effect
MJ Percino, M Cerón, P Ceballos, G Soriano-Moro… - …, 2016 -

Synthesis and evaluation of gallocyanine dyes as potential agents for the treatment of Alzheimer's disease and related neurodegenerative tauopathies
S Mpousis, S Thysiadis, N Avramidis… - European journal of …, 2016 - Elsevier

The role of charge transfer in the photophysics of dithiophene-based (NIADs) fluorescent markers for amyloid-β detection
F Peccati, X Solans-Monfort, M Sodupe - Theoretical Chemistry Accounts, 2016 - Springer

Bis-pyridylethenyl benzene as novel backbone for amyloid-β binding compounds
RJA Nabuurs, VV Kapoerchan, A Metaxas… - Bioorganic & medicinal …, 2016 - Elsevier

A New Insight of Herbal Promises Against Ocular Disorders: An Occuloinformatics Approach
P Srivastava, A Tiwari - Current topics in medicinal chemistry, 2016 -

Discovery of novel dual inhibitors against Mdm2 and Mdmx proteins by in silico approaches and binding assay
S Golestanian, A Sharifi, GM Popowicz, H Azizian… - Life sciences, 2016 - Elsevier

Inhibition of LPS-induced no production in RAW264. 7 cell lines: synthesis and molecular modeling of α-ketophosphonates of febuxostat
MVB Reddy, D Srinivasulu, SM Sudhana… - … , Sulfur, and Silicon …, 2016 - Taylor & Francis

Discovery of new chemical entities for old targets: insights on the lead optimization of chromone-based monoamine oxidase B (MAO-B) inhibitors
J Reis, F Cagide, D Chavarria, T Silva… - Journal of medicinal …, 2016 - ACS Publications

Computer representation of chemical compounds
J Polanski, J Gasteiger - Handbook of computational chemistry, 2016 - Springer

Comparison of protein phosphatase inhibition assay with LC-MS/MS for diagnosis of microcystin toxicosis in veterinary cases
CE Moore, J Juan, Y Lin, CL Gaskill, B Puschner - Marine drugs, 2016 -

Convergent synthesis and cytotoxicity of novel trifluoromethyl-substituted (1H-pyrazol-1-yl)(quinolin-4-yl) methanones
HG Bonacorso, PA Nogara, FDA Silva, WC Rosa… - Journal of Fluorine …, 2016 - Elsevier

Polysulfides in biology: From intricate chemistry to an astonishing yet hidden biological activity
EC Estevam, L Faulstich, S Griffin… - Current Organic …, 2016 -

Phenyl-guanidine derivatives as potential therapeutic agents for glioblastoma multiforme: catalytic syntheses, cytotoxic effects and DNA affinity
I Bravo, C Alonso-Moreno, I Posadas, J Albaladejo… - RSC Advances, 2016 -

Experimental and computational approaches of a novel methyl (2E)-2-{[N-(2-formylphenyl)(4-methylbenzene)sulfonamido]methyl}-3-(4-chlorophenyl)prop-2-enoate …
S Murugavel, D Kannan, M Bakthadoss - Journal of Molecular Structure, 2016 - Elsevier

Benzothiazole amphiphiles promote the formation of dendritic spines in primary hippocampal neurons
JL Cifelli, L Dozier, T Chung, GN Patrick… - Journal of Biological …, 2016 - ASBMB

Synthesis, anticlotting and antiplatelet effects of 1, 2, 3-triazoles derivatives
A Moura, A CM de Almeida, AV da Silva… - Medicinal …, 2016 -

Expeditious entry to functionalized pseudo-peptidic organoselenide redox modulators via sequential Ugi/SN methodology
S Shaaban, A Negm, MA Sobh… - Anti-Cancer Agents in …, 2016 -

Computer aided drug designing of 2-(1H-indol-3-yl) morpholin-3-ol as a mast cell tryptase receptor antagonist to cure asthma
M Smita - 2016 -

転相温度での重合による, 蛍光物質を含有したサブミクロン高分子微粒子の調製
鈴木清 - 色材協会誌, 2016 -

Pharmacokinetic modeling of a gel-delivered dapivirine microbicide in humans
ME Halwes, JM Steinbach-Rankins… - European Journal of …, 2016 - Elsevier

In silico driven design and synthesis of rhodanine derivatives as novel antibacterials targeting the enoyl reductase InhA
L Slepikas, G Chiriano, R Perozzo… - Journal of Medicinal …, 2016 - ACS Publications

Synthesis, characterization and biological evaluation of bile acid-aromatic/heteroaromatic amides linked via amino acids as anti-cancer agents
DS Agarwal, HS Anantaraju, D Sriram, P Yogeeswari… - Steroids, 2016 - Elsevier

Anticancer Vitamin K3 Analogs: A Review
KD Badave, AA Khan, SY Rane - Anti-Cancer Agents in …, 2016 -

In vivo phase II-enzymes inducers, as potential chemopreventive agents, based on the chalcone and furoxan skeletons
M Cabrera, I Mastandrea, G Otero, H Cerecetto… - Bioorganic & medicinal …, 2016 - Elsevier

Chalcogen containing heterocyclic scaffolds: new hybrids with antitumoral activity
V Alcolea, D Plano, I Encío, JA Palop… - European journal of …, 2016 - Elsevier

Synthesis and Antifungal Activity Against Candida Strains of Mesoionic System Derived From 1, 3-Thyazolium-5-thiolate
IN Peixoto, HDS Souza, BF Lira, DF Silva… - Journal of the Brazilian …, 2016 - SciELO Brasil

Design and synthesis of novel hydroxypyridinone derivatives as potential tyrosinase inhibitors
DY Zhao, MX Zhang, XW Dong, YZ Hu, XY Dai… - Bioorganic & medicinal …, 2016 - Elsevier

Sulfone-Containing Methacrylate Homopolymers: Wetting and Thermal Properties
S Fujii, TJ McCarthy - Langmuir, 2016 - ACS Publications

Light-triggered CO delivery by a water-soluble and biocompatible manganese photoCORM
J Jimenez, I Chakraborty, SJ Carrington… - Dalton …, 2016 -

Synthesis and structure-activity relationship of some new thiophene-based heterocycles as potential antimicrobial agents
YN Mabkhot, F Alatibi, NNE El-Sayed, NA Kheder… - Molecules, 2016 -

Design, Synthesis, and Biological Evaluation of 6‐(2‐Amino‐substituted phenyl)‐4‐(substituted phenyl)‐1,2,4‐triazine‐3,5(2H,4H)‐dione Derivatives as …
AA Khan, N Siddiqui, MJ Akhtar, Z Ali… - Archiv der …, 2016 - Wiley Online Library

Synthesis and evaluation of the cytotoxic activity of novel ethyl 4-[4-(4-substitutedpiperidin-1-yl)]benzyl-phenylpyrrolo[1,2-a]quinoxaline-carboxylate derivatives in …
V Desplat, M Vincenzi, R Lucas, S Moreau… - European journal of …, 2016 - Elsevier

Cyanidin-3-O-glucoside: physical-chemistry, foodomics and health effects
F Olivas-Aguirre, J Rodrigo-García, N Martínez-Ruiz… - Molecules, 2016 -

Comparative Study of Carbon Paste, Screen Printed, and PVC Potentiometric Sensors Based on Copper‐sulphamethazine Schiff Base Complex for Determination of …
FM Abdel‐Haleem, OR Shehab - Electroanalysis, 2016 - Wiley Online Library

Structural requirements for potential HIV-integrase inhibitors identified using pharmacophore-based virtual screening and molecular dynamics studies1
MA Islama, TS Pillay - Mol. BioSyst, 2016 -

Alkylrhodamines enhance the toxicity of clotrimazole and benzalkonium chloride by interfering with yeast pleiotropic ABC-transporters
DA Knorre, E Besedina, IE Karavaeva… - FEMS yeast …, 2016 -

4-(1, 2-diarylbut-1-en-1-yl) isobutyranilide derivatives as inhibitors of topoisomerase II
MS Christodoulou, M Zarate, F Ricci, G Damia… - European journal of …, 2016 - Elsevier

Synthesis, in vitro potential and computational studies on 2-amino-1, 4-dihydropyrimidines as multitarget antibacterial ligands
MJ Ahmad, SF Hassan, RU Nisa, K Ayub… - Medicinal Chemistry …, 2016 - Springer

Ultra-fast computation of electronic spectra for large systems by tight-binding based simplified Tamm-Dancoff approximation (sTDA-xTB)
C Bannwarth, S Grimme - Molecular Quantum Mechanics -

In silico studies most employed in the discovery of new antimicrobial agents
F Tamay-Cach, ML Villa-Tanaca… - Current medicinal …, 2016 -

Cardanol-derived AChE inhibitors: towards the development of dual binding derivatives for Alzheimer's disease
LFN Lemes, G de Andrade Ramos… - European journal of …, 2016 - Elsevier

Studies on cycloaddition reactions an approach to synthesis n heterocycles
PS Pradeep - 2016 -

New 3′-O-aromatic acyl-5-fluoro-2′-deoxyuridine derivatives as potential anticancer agents
A Szymańska-Michalak, D Wawrzyniak… - European journal of …, 2016 - Elsevier

Identification of Ebsulfur Analogues with Broad‐Spectrum Antifungal Activity
HX Ngo, SK Shrestha… - ChemMedChem, 2016 - Wiley Online Library

Quantitative structure—retention relationships modeling and multivariate data analysis of lipophilicity data of new spirohydantoin derivatives
T Djaković Sekulić, G Vastag, K Tot, J Tot… - JPC-Journal of Planar …, 2016 -

Synthesis of new donepezil analogues and investigation of their effects on cholinesterase enzymes
BN Sağlık, S Ilgın, Y Özkay - European journal of medicinal chemistry, 2016 - Elsevier

In silico studium interakcí cholinesteras s jejich modulátory a návrh nových látek tohoto typu
J Binder - 2016 -

Bioaccessibility and Antioxidant Activity of Calendula officinalis Supercritical Extract as Affected by in Vitro Codigestion with Olive Oil
D Martin, J Navarro del Hierro… - Journal of agricultural …, 2016 - ACS Publications

Development of multifunctional pyrimidinylthiourea derivatives as potential anti-Alzheimer agents
X Li, H Wang, Z Lu, X Zheng, W Ni, J Zhu… - Journal of Medicinal …, 2016 - ACS Publications

Novel benzimidazole–oxadiazole hybrid molecules as promising antimicrobial agents
N Shruthi, B Poojary, V Kumar, MM Hussain, VM Rai… - RSC Advances, 2016 -

Cyclodextrins as encapsulation material for flavors and aroma
M Kfoury, NG Hădărugă, DI Hădărugă, S Fourmentin - Encapsulations, 2016 - Elsevier

Development of novel HER2 inhibitors against gastric cancer derived from flavonoid source of Syzygium alternifolium through molecular dynamics and …
TMC Babu, A Rammohan, VB Baki, S Devi… - Drug design …, 2016 -

Smart drugs: Towards synergistic effects of biologically active ligand systems and metal centers
M Kubanik - 2016 -

Introducing the 4-phenyl-1, 2, 3-triazole moiety as a versatile scaffold for the development of cytotoxic ruthenium (II) and osmium (II) arene cyclometalates
CA Riedl, LS Flocke, M Hejl, A Roller… - Inorganic …, 2016 - ACS Publications

M Vincenzi - 2016 -

Interactions protéines-molécules biotechnologiques originales: une approche intégrée de RMN et de modélisation moléculaire
M Vincenzi - 2016 -

Dyes and Drugs: New Uses and Implications
HH Trimm, W Hunter Jr - 2016 -

Estudo da apocinina e diapocinina e seus derivados de chalconas como antioxidante e antibacterianos potenciais: síntese, avaliação da ação antibacteriana …
CLS Machado - 2016 -

On the syneresis of an OPV functionalised dipeptide hydrogel
AM Castilla, M Wallace, LLE Mears, ER Draper… - Soft Matter, 2016 -


Síntese de novos compostos organosselênicos com potencial atividade antimicrobiana e antitumoral
MFN Huang - 2016 -

Synthesis of new secretory phospholipase A2-inhibitory indole containing isoxazole derivatives as anti-inflammatory and anticancer agents
SR Pedada, NS Yarla, PJ Tambade… - European journal of …, 2016 - Elsevier

Discovery of novel phthalimide analogs: synthesis, antimicrobial and antitubercular screening with molecular docking studies
HS Rateb, HEA Ahmed, S Ahmed, S Ihmaid… - EXCLI …, 2016 -

New hybrid bromopyridine-chalcones as in vivo phase II enzyme inducers: potential chemopreventive agents
M Cabrera, H Cerecetto, M González - MedChemComm, 2016 -

Design, synthesis and antitrypanosomal activities of 2, 6-disubstituted-4, 5, 7-trifluorobenzothiophenes
AS Bhambra, M Edgar, MRJ Elsegood, Y Li… - European journal of …, 2016 - Elsevier

Design and synthesis of 5-aminolaevulinic acid/3-hydroxypyridinone conjugates for photodynamic therapy: enhancement of protoporphyrin IX production and photo …
T Zhou, LL Shao, S Battah, CF Zhu, RC Hider… - …, 2016 -

Nickel Catalyzed Coupling Reactions and Studies on Pyranopyrazole Heterocyclic Molecules
A Sharma - 2016 -

QSAR analysis of N-1-substituted 1, 2, 4-triazoles against Escherichia coli
V Dimova, I Jordanov, L Dimitrov - BULGARIAN CHEMICAL …, 2016 -

Avaliação da atividade biológica de β-Citronelol sobre Candida albicans
DF Silva - 2016 -

Molecular engineering of the peptoid nanosheet hydrophobic core
EJ Robertson, C Proulx, JK Su, RL Garcia, S Yoo… - Langmuir, 2016 - ACS Publications

Synthesis of new thieno[2,3-b]pyridine derivatives as pim-1 inhibitors
BH Naguib, HB El-Nassan - Journal of enzyme inhibition and …, 2016 - Taylor & Francis

Experimental Active-Site Mapping by Fragments: Hot Spots Remote from the Catalytic Center of Endothiapepsin
N Radeva, SG Krimmer, M Stieler, K Fu… - Journal of medicinal …, 2016 - ACS Publications

Uticaj žučnih kiselina na bioraspoloživost makrolidnih antibiotika
J Trifunović - 2016 -

Chemical probes for histone lysine demethylases
P Gerken - 2016 -

Photophysical properties of 3MPBA: Evaluation and co-relation between solvatochromism and quantum yield in different solvents
GV Muddapur, RM Melavanki, PG Patil… - Journal of Molecular …, 2016 - Elsevier

Planejamento in silico de inibidores da enzima dihidrofolato redutase
IA Matos - 2016 -


Synthesis of Se, Te-containing molecular complexes on a base of symmetric triazoles.
N Korol, M Fizer, M Slivka, V Baumer, V Lendel - 2016 -

First Structure–Activity Relationship of 17β-Hydroxysteroid Dehydrogenase Type 14 Nonsteroidal Inhibitors and Crystal Structures in Complex with the Enzyme
F Braun, N Bertoletti, G Möller… - Journal of Medicinal …, 2016 - ACS Publications

Synthesis of hybrid natural product analogues with anti-tumour properties
S Christou, AC Edwards, RG Pritchard, P Quayle… - Tetrahedron, 2016 - Elsevier

Atividade antimicobacteriana in vitro de lactonas sesquiterpênicas e investigação do seu mecanismo de ação
LM Wildner - 2016 -

Étude par la chimie informatique, des corrélations structures-activités/propriétés dans des hétérocycles à intérêt thérapeutique
H BELAIDI - 2016 -

Blue light emitting self-healable graphene quantum dot embedded hydrogels
S Biswas, DB Rasale, AK Das - RSC Advances, 2016 -

Antimicrobial Characterization and Therapeutic Applications of Novel Synthetic Thiazole Compounds against Multidrug-Resistant Staphylococci and Enterococci
H Mohammad - 2016 -

Preparation of phytosomes of Gossypin and evaluation of antiepileptic activity in animal models
N DHEERAJ - 2016 -

Дослідження взаємодії солей тіосульфокислот з дихлормалеїновим ангідридом
АВ Наконечна, СВ Василюк, ГБ Шиян, РЯ Мусянович… - 2016 -

Glycolipid‐based TLR 4 Modulators and Fluorescent Probes: Rational Design, Synthesis, and Biological Properties
C Ciaramelli, V Calabrese, SE Sestito… - Chemical biology & …, 2016 - Wiley Online Library

ADMET Properties and Correlation Studies in a Series of Stimulants of the WADA List of Prohibited Substances
MJM Takač, N Jenjić, T Tin - 5th Croatian Congress of Toxicology with …, 2016 -

Structure-Antimalarial Activity Study of Artemisinin-Quinine Hybrids
J Cotua, S Cotes - Journal of Pharmaceutical Sciences and …, 2016 -

New inhibitors of indoleamine 2, 3-dioxygenase 1: molecular modeling studies, synthesis, and biological evaluation
A Coluccia, S Passacantilli, V Famiglini… - Journal of medicinal …, 2016 - ACS Publications

Novel oxazine and oxazone dyes: aggregation behavior and physicochemical properties
MN Urrutia, CS Ortiz - New Journal of Chemistry, 2016 -

Synthesis of chalcone derivatives and their effects on proliferation and tubulin dynamics instability of HT-29 Cells
Y Tajuddin, Z Harun, A Rohi Ghazali… - Letters in Drug …, 2016 -

Uticaj soli žučnih kiselina na prodor i metabolizam simvastatina u probiotskim bakterijama
M Đanić - 2016 -

Heteroaryl chalcone allied triazole conjugated organosilatranes: synthesis, spectral analysis, antimicrobial screening, photophysical and theoretical investigations
G Singh, A Arora, S Rani, IK Maurya, D Aulakh… - RSC Advances, 2016 -

A Novel Series of Thiazoles and 1, 3, 4-Thiadiazoles Bearing Thiazole Moiety as Anticancer Agents: Synthesis, Spectral Studies, Biological Evaluation and Structure …
SM Gomha, NA Kheder, MR Abdelaziz, YN Mabkhot - 2016 -

Uso da estratégia drogas gêmeas para a síntese de novos homodimeros de adutos de morita-bayllis-hilman potenciais candidatos a fármacos antiparasitários
WAV Silva - 2016 -

Occupational exposure to organophosphorus pesticides: exploratory case studies of factors influencing glove performance and skin penetration
I Ismail - 2016 -

Atividades Antifúngica e Toxicológica In Silico dos Enantiômeros (R)-(+)-e (S)-(-)-citronelal
CIS Medeiros - 2016 -

DNA scaffolded silver clusters: a critical study
B Sengupta, C Corley, K Cobb, A Saracino, S Jockusch - Molecules, 2016 -

Rational Design, Synthesis and Evaluation of Benzothiazole Amphiphiles with Applications in Neurodegenerative Diseases
JL Cifelli - 2016 -

Computational modeling of fluorescent markers for amyloid detection
F Peccati - 2016 -

Tumour-specific cytotoxicity and structure–activity relationships of novel 1-[3-(2-methoxyethylthio) propionyl]-3, 5-bis (benzylidene)-4-piperidones
M Hossain, U Das, N Umemura, H Sakagami… - Bioorganic & medicinal …, 2016 - Elsevier

Otimização de compostos de quinolina para Doenças Negligenciadas. Bloqueio de vias de metabolização
CN Carrilho - 2016 -

Development and evaluation of a library of novel 18 F-labelled PET tracers targeting the P2X7 receptor
ER Fantoni - 2016 -

Korelacija strukture i hromatografskog ponašanja polioksigenovanih steroida u uslovima planarne hromatografije

QSAR Studies and Predicted Toxicity of N-Arylhydroxamic Acids
MJM Takač, M Barbarić - 5th Croatian Congress of Toxicology with …, 2016 -

Development of new screening methodologies and preparation methods with application in amorphous solid dispersions and pharmaceutical cocrystals
ÍDCS Duarte - 2016 -

Development of new screening methodologies and preparation methods with application in amorphous solid dispersions and pharmaceutical cocrystals
ÍDC da Silva Duarte - 2016 -

Редактор химических формул для поддержки процесса обучения
АА Винидиктов - 2016 -

Extraction and quantification of bioactive Tyrian purple precursors: A comparative and validation study from the hypobranchial gland of a muricid Dicathais …
R Valles-Regino, P Mouatt, D Rudd, LH Yee… - Molecules, 2016 -

Development of 3, 5-dinitrobenzylsulfanyl-1, 3, 4-oxadiazoles and thiadiazoles as selective antitubercular agents active against replicating and nonreplicating …
G Karabanovich, J Zemanová, T Smutný… - Journal of medicinal …, 2016 - ACS Publications

Antiplasmodial and chloroquine chemosensitizing and resistance reversal effects of coumarin derivatives against Plasmodium falciparum 3D7 and K1
OI Zaid, A Majid, MS Hasidah, R Basir - Tropical Biomedicine, 2016 -

Active Site Mapping of an Aspartic Protease by Multiple Fragment Crystal Structures: Versatile Warheads To Address a Catalytic Dyad
N Radeva, J Schiebel, X Wang… - Journal of medicinal …, 2016 - ACS Publications

Design, Synthesis and Molecular Docking Studies of 2-Aryl/Heteroaryl-Ethyl 6-Chloroquinoline-4-Carboxylates as Potential Antimalarial Agents
T OS Kumar, KM Mahadevan… - Letters in Drug …, 2016 -

Tailoring fluorescent dyes to optimize a hybrid RGD-tracer
A Bunschoten, DM van Willigen, T Buckle… - Bioconjugate …, 2016 - ACS Publications

Фізичні механізми впливу біологічно активних субстанцій на фазовий стан модельних фосфоліпідних мембран
АО Садченко - 2016 -

Anticonvulsant activity, crystal structures, and preliminary safety evaluation of N-trans-cinnamoyl derivatives of selected (un)modified aminoalkanols
A Gunia-Krzyżak, E Żesławska, K Słoczyńska… - European journal of …, 2016 - Elsevier

H Luo - 2016 -

Functional Barrier Performance of a Polyamide‐6 Membrane Towards n‐Alkanes and 1‐Alcohols
J Ewender, F Welle - Packaging Technology and Science, 2016 - Wiley Online Library

Elaboração de regra de mistura para estimativa de viscosidade dinâmica de mistura binária homogênea líquida.
JAH Waisberg -

Organocatalytic Redox Isomerization of Electron-Deficient Allylic Alcohols: Synthesis of 1, 4-Ketoaldehydes
K Mondal, B Mondal, SC Pan - The Journal of organic chemistry, 2016 - ACS Publications

unicamp.brTriagem biológica, síntese e planejamento de novos agentes quimioterápicos para a terapia do câncer
DC Fernandes - 2016 - Understanding the Influence of Adsorption-Mediated Processes on Antibody Aggregation in Bioprocessing
A Mazzer - 2016 -

Exploring the reactivity of 2-trichloromethylbenzoxazoles for access to substituted benzoxazoles
RP Lester, T Bham, TW Bousfield… - The Journal of …, 2016 - ACS Publications

Nanoencapsulation of new compounds with potentioal anti-leishmanial activity
JPV Quintas - 2016 -

Exciton Polariton Modes in Nanostructures
MJ Gentile - 2016 -

Design, Synthesis and Biological Evaluation of Potential Inhibitors of S100P, a Protein implicated in Pancreatic Cancer
R Camara - 2016 -

Influence of Structure and Surface Chemistry of Porous Carbon Electrodes on Supercapacitor Performance
B Dyatkin - 2016 -

Tool development to study ubiquitination machinery
J Ward - 2016 -

Design Synthesis and Evaluation of Novel Anticancer Agents
M Singh - 2016 -

Towards New Peptide-Based Therapeutics and Tools for Chemical Biology
T Koopmans - 2016 -

Targeting dietary antioxidants to mitochondria: regulating mitochondrial radical production and redox signaling to improve human health
JCS Teixeira - 2016 -

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