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Molinspiration Publications 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 - ajol.info
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 - ijpsdr.com
Molecular docking analysis of selected Clinacanthus nutans constituents as xanthine oxidase, nitric oxide synthase, human neutrophil elastase, matrix …
AI Radhakrishnan Narayanaswamy… - Pharmacognosy …, 2016 - ncbi.nlm.nih.gov
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 - researchgate.net
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 - researchgate.net
Reverse docking study unravels the potential Mycobacterium tuberculosis enzyme targets of Agelasine F
JB Billones - Oriental Journal of Chemistry, 2016 - orientjchem.org
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 - indianjournals.com
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 - ncbi.nlm.nih.gov
Discovery of two diacetylene glycosides as human uridine-cytidine kinase 2 inhibitors: an in silico approach
MA Mohamed, AI Dirar… - Journal of Applied …, 2016 - khartoumspace.uofk.edu
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 - ncbi.nlm.nih.gov
SYNTHESIS, SPECTROSCOPIC CHARACTERIZATION AND PETRA OSIRIS MOLINSPIRATION (POM) ANALYSES OF DICARBOXYLIC ACID AMIDES
F Nohri - researchgate.net
SELECTED ANTIMALARIAL AGENTS
N Kumar, S She - pdfs.semanticscholar.org
Effect of Alkylation of 4'-hydroxy of Kaempferol on its bioactivity: A Theoretical Approach
P Kulkarni - ijpacr.com
COMPARISON ON PREDICTION AND EXPERIMENTAL LIPOPHILICITY (LOG P) OF AN ANTICANCER COMPOUND 17-βH NERIIFOLIN
O Asiah, J Mohd Haffiz, Y Nurhanan Murni… - HEALING POWER … - researchgate.net
PHARMACEUTICAL PROPERTIES AND DRUG LIKENESS OF ANTICANCER DRUGS ADMINISTERED FOR THE CLINICAL TREATMENT OF LUNG CANCER
R Bartzatt - International Journal of Cancer Research and …, 2016 - researchgate.net
unomaha.edu Potency and Properties of Hydrazide Compounds That Inhibit the Growth of Mycobacterium tuberculosis
R Bartzatt - Journal of Advances in Medical and …, 2016 - digitalcommons.unomaha.edu
Synthesis of spiro-2-oxindole derivatives as potential sodium channel blockers
AA Babchenko, RG Redkin, LA Schemchuk… - 2016 - 91.234.42.22
PREDICTION OF MOLECULAR PROPERTIES, BIOACTIVITY & DOCKING OF
N HYDRAZINES - ijtpls.com
Available Online through Research Article www. ijptonline. com
SM Zachariah, M Ramkumar, N George, MS Ashif… - ijptonline.com
Drug Design and Data Management of Artemether
DKR Garima, P Dubey, MK Das - iec.edu.in
MULTI-TARGETED ACTION OF A PLANT DERIVED FLAVONOID GLUCOSIDE 'APIGETRIN'AGAINST IMPORTANT MACROMOLECULAR TARGETS IN …
HS ALI, K SREEJITH
Research of new anti-tuberculosis agents by molecular docking's method
A Bensegueni, H Boucherit - Journal of Computational Methods in …, 2016 - researchgate.net
Molecular Docking Studies of E-Bola Virus Protein VP30
UPA Shaikh, YN Joshi - 2016 - ijsrst.com
International Journal of Current Research and Academic Review
J Premila, S Logeshwari, G Shanmugapriya - ijcrar.com
TB Drug Potency of a Structure Modified Derivative of Ethambutol: A Docking Based and Quantum-Chemical Comparison Study.
A Bag - Advances in Bioresearch, 2016 - researchgate.net
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 - pharmascope.org
MOLECULAR PROPERTY EXPLORATION OF GLUT2 INHIBITORS
T Rajkumar, P Shirisha, SS Faisal, SA Hussain… - researchgate.net
COMPUTATIONAL STUDIES OF THE NUCLEOCAPSID PROTEIN OF HUMAN IMMUNODEFICIENCY VIRUS-1 TO FIND A POTENT INHIBITOR
GSAI AKASH - Asian J Pharm Clin Res, 2016 - pdfs.semanticscholar.org
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 - pdfs.semanticscholar.org
Properties and Drug-likeness of Compounds That Inhibit Ebola Virus Disease (EVD)
R Bartzatt - … Journal of TROPICAL DISEASE & Health, 2016 - digitalcommons.unomaha.edu
Virtual screening of RAGE inhibitors using molecular docking
MD Alaparthi, G Gopinath, S Bandaru, V Sankeshi… - …, 2016 - ncbi.nlm.nih.gov
Molecular Docking Analysis-An aid for Selection of Promising Natural Plant Products against Diphtheria Toxin
AS Chakotiya, R Chawla, A Tanwar - 2016 - researchgate.net
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 - ijpsdr.com
Burn Skin Pathogens: Isolation, Identification, Antimicrobial Activity Pattern Against C. longa Extract and Computational Studies of its Components
EA Alodeani - impactfactor.org
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 - hindawi.com
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 - pdfs.semanticscholar.org
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 - derpharmachemica.com
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 - researchgate.net
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 - ncbi.nlm.nih.gov
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 - ncbi.nlm.nih.gov
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 - ijptb.com
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 - core.ac.uk
Bioinformatic Analysis of Drug Candidate Compounds for Acquired Immunodeficiency Syndrome
RM Sukoco, A Fauzi, U Nuha - … Conference on Global …, 2016 - proceedingicgrc.ub.ac.id
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 - proceedingicgrc.ub.ac.id
4.2. 3.5. Synthesis of Lipophilic Antioxidants Based on Natural Models
S Benfeitoa, T Silvaa, DM Silvaa… - … Experiments for the …, 2016 - books.google.com
Comparison of commercially available drugs for Type 2 diabetes with natural molecule from Tinospora
N PANDEY, RK PATHAK… - Int J Pharm Pharm Sci, 2016 - researchgate.net
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 - researchgate.net
Molecular modeling and docking of small molecule inhibitors against NEK2
B Ramachandran, S Kesavan, T Rajkumar - Bioinformation, 2016 - ncbi.nlm.nih.gov
Relationship between the bioavailability and molecular properties of angiotensin ii receptor antagonists
JB Trbojević, JV Odović… - Archives of Biological …, 2016 - serbiosoc.org.rs
In Search of the Antimicrobial Potential of Benzimidazole Derivatives
M Janeczko, Z Kazimierczuk, A Orzeszko… - Pol. J …, 2016 - researchgate.net
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 - ethesis.nitrkl.ac.in
Distribution coefficients of novel coumarin derivatives
L Ballazhi, E Dogazanska, F Imeri, A Jashari… - Your hosts Macedonian … - researchgate.net
Study of structural features, biological targets and ADMET properties of retinoids
M Delač - 2016 - bib.irb.hr
The relationship between plasma protein binding and molecular properties of selected antifungal agents
J Odović, J Trbojević, J Trbojević-Stanković… - Your hosts Macedonian … - researchgate.net
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 - academia.edu
Isolated Burn Skin Pathogens: Screening Against Extract of Carissa Edulis Vahl and Computational Studies
EA Alodeani, M Arshad, MA Izhari - impactfactor.org
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 - journals.matheo.si
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 - ncbi.nlm.nih.gov
Molecular docking and molecular dynamics simulation study of inositol phosphorylceramide synthase–inhibitor complex in leishmaniasis: Insight into the …
V Mandlik, S Singh - F1000Research, 2016 - ncbi.nlm.nih.gov
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 - researchgate.net
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 - mdpi.com
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 - inderscienceonline.com
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 - researchgate.net
SCREENING AND IDENTIFICATION OF NOVEL INHIBITOR FOR IL-1Β INVOLVED IN CORONARY ARTERY DISEASE
PD Choudhari, YN Joshi, PS Vinod - researchgate.net
Development of an extended amino acid hydrophobicity scale
L Gujinović - 2016 - zir.nsk.hr
КУПРОКАТАЛІТИЧНЕ АРИЛСУЛЬФОНІЛЮВАННЯ 1, 5-ДИФЕНІЛ-2, 4-ПЕНТАДІЄН-1-ОНУ
E Bila - Вісник Львівського університету. Серія хімічна - publications.lnu.edu.ua
Купрокаталітичне арилсульфонілювання 1, 5-дифеніл-2, 4-пентадієн-1-ону
Є Біла - Вісник Львівського університету. Серія хімічна, 2016 - irbis-nbuv.gov.ua
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 - chem.folium.ru
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 - search.ebscohost.com
SCREENING OF POTENTIAL PHYTOCHEMICALS AGAINST PROTEASE OF VARICELLA ZOSTER VIRUS–AN IN SILICO APPROACH
A Divyadarshini, P Indu, S Rajarajan, R Sridhar - 2016 - wjpps.com
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 - fasebj.org
In silico and antithrombotic studies of 1, 3, 4-oxadiazoles derived from benzimidazole
B Vishwanathan, BM Gurupadayya… - Bangladesh Journal of …, 2016 - researchgate.net
SYNTHESIS AND SCREENING OF SOME AZOMETHINES BEARING METHYL SALICYLATE MOIETY FOR ANTIBACTERIAL ACTIVITIES
S Baluja, S Chanda - INDONESIAN …, 2016 - indonesianjpharm.farmasi.ugm.ac.id
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 - researchgate.net
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 - researchgate.net
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 - pubs.rsc.org
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 - orientjchem.org
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 - hindawi.com
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 - cambridge.org
COMPARATIVE MODELING OF PROSTATE SPECIFIC ANTIGEN AND IN SILICO DRUG DESIGNING
P Venkateshaiah, ST Gururaja, K Kondapalli… - 2016 - researchgate.net
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 - davidpublisher.com
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 - ingentaconnect.com
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 - degruyter.com
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 - ijseas.com
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 - crescopublications.org
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 - researchgate.net
In Silico Study of Novel Fluoroquinolones as Inhibitors of Topoisomerase IV of Acinetobacter Baumannii
G Sabbagh, T Murad - ijpsnonline.com
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 - search.ebscohost.com
Journal of Bioinformatics and Proteomics Review
M Pulaganti, AC Moremmagari, CS Kumar - pdfs.semanticscholar.org
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 - academic.oup.com
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 - researchgate.net
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 - pubs.rsc.org
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 - ncbi.nlm.nih.gov
Synthesis, bioactivity and Docking Study of Some New Indole-hydrazone Derivatives
NS El-Dina, A Barseemb - Journal of Applied Pharmaceutical …, 2016 - researchgate.net
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 - ncbi.nlm.nih.gov
SYNTHESIS AND IN VITRO ANTIMYCOBACTERIAL INVESTIGATION OF 2-/3-ALKOXYPHENYLCARBAMIC ACID DERIVATIVES CONTAINING 4'-(PYRIMIDIN …
I Malik, M Lukac, J Galba… - FEB-FRESENIUS …, 2016 - researchgate.net
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 - dspace.nuph.edu.ua
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 - researchgate.net
.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 - ncbi.nlm.nih.gov
The quantitative relationships of the partition coefficients calculated in the series of nr-amine functional derivatives
MY Golik, OS Kryskiv, AM Komissarenko… - Vìsnik …, 2016 - nphj.nuph.edu.ua
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
ANTICANCER ACTIVITY AND DRUG LIKELINESS OF QUINOLINE THROUGH INSILICO DOCKING AGAINST CERVICAL AND LIVER CANCER RECEPTORS
MP Santhi, G Bupesh, V SenthilKumar, K Meenakumari… - academia.edu
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 - ingentaconnect.com
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 - bib.irb.hr
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… - pdfs.semanticscholar.org
Drug-excipient behavior in polymeric amorphous solid dispersions
SB Teja, SP Patil, G Shete, S Patel… - Journal of Excipients …, 2016 - jefc.scholasticahq.com
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
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Exploring the binding affinity of novel syringic acid analogues and critical determinants of selectivity as potent proteasome inhibitors
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Synthesis of 1, 3, 4-oxadiazoles as promising anticoagulant agents
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Structure–activity relationship of novel series of 1, 5-disubstituted tetrazoles as cyclooxygenase-2 inhibitors: Design, synthesis, bioassay screening and molecular …
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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 - scirp.org
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
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Molecular mechanisms of endocrine and metabolic disruption: An in silico study on antitrypanosomal natural products and some derivatives
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1-Substituted carbamoyl and thiocarbamoyl-4, 5-dihydro-1H-pyrazoles as possible cytotoxic and antimicrobial agents
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Efficient Synthesis, Characterization, In Vitro Antibacterial and Antifungal Activity Study and Computational Tool for Prediction of Molecular Properties of Some Novel …
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Enzymatically triggered release of dye model compounds from zein particles
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Synthesis and Antitumor Evaluation of New Cyclohepta [b] Thiophene Analogs
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Rejection of caffeine and carbamazepine by surface-coated PVDF hollow-fiber membrane system
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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 …
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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
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WORLD JOURNAL OF PHARMACEUTICAL RESEARCH
P Rishishwar, B Ahmed, A Samad - 2016 - wjpr.net
Anti-proliferative and computational studies of two new pregnane glycosides from Desmidorchis flava
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Fragment-based whole cell screen delivers hits against M. tuberculosis and non-tuberculous mycobacteria
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Four Component One Pot Synthesis of Spiro Pyrazolo Pyrimidine Derivatives by Using Recyclable Nano Copper Ferrite Catalyst and their Antibacterial Studies
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Design, synthesis and evaluation of pyrazole derivatives as non-nucleoside hepatitis B virus inhibitors
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Design, synthesis and computational evaluation of a novel intermediate salt of N-cyclohexyl-N-(cyclohexylcarbamoyl)-4-(trifluoromethyl) benzamide as potential …
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An in silico study of novel fluoroquinolones as inhibitors of DNA gyrase of staphylococcus aureus
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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 …
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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 …
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Synthesis and cytotoxicity evaluation of aryl triazolic derivatives and their hydroxymethine homologues against B16 melanoma cell line
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Evaluation Of New Drug Candidature of Usnic Acid Derivatives As Selective Bcl-2 Inhibitors: Computational Designing And Molecular Docking
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Conjugation of N-acylhydrazone and 1,2,4-oxadiazole leads to the identification of active antimalarial agents
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Structure and POM analyses of 2-{(2Z)-2-[(2R)-2-ethoxy-4-oxo-2H-chromen-3 (4H)-ylidene] hydrazinyl} benzonitrile with promising parasitological activity
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Computational analysis for antimicrobial active pyrano [2, 3-d] pyrimidine derivatives on the basis of theoretical and experimental ground
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O-bridged and paddlewheel copper (II) carboxylates as potent DNA intercalator: Synthesis, physicochemical characterization, electrochemical and DNA binding …
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Candidate Molecule Selection Based on In Silico Predicted ADMET Properties of 12 Indenoindole Derivatives
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Synthesis, molecular properties, toxicity and biological evaluation of some new substituted imidazolidine derivatives in search of potent anti-inflammatory …
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PHYSIOLOGICALLYǧBASED PHARMACOKINETIC MODEL FOR PLANTǧBASED ANTIǧOXIDANT DRUGS
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Pharmacokinetics, tissue distribution and protein binding studies of chrysocauloflavone I in rats
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Novel armed pyrazolobenzothiazine derivatives: synthesis, X-ray crystal structure and POM analyses of biological activity against drug resistant clinical isolate of …
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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
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Informatics in Medicine Unlocked
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Evaluation of Antibacterial Activity and Reactive Species Generation of N-Benzenesulfonyl Derivatives of Heterocycles
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Determination of formation constants and structural characterization of cyclodextrin inclusion complexes with two phenolic isomers: carvacrol and thymol
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Exploration of Anticancer Potential of Spiropyranopyrazole Derivatives as CDK7 Inhibitors
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Viral Inhibition Mechanism Mediated by Surface-Modified Silica Nanoparticles
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Design, synthesis and anti-diabetic activity of some novel xanthone derivatives targeting α-glucosidase
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Exposure to gemfibrozil and atorvastatin affects cholesterol metabolism and steroid production in zebrafish (Danio rerio)
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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
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Exploring the physicochemical profile and the binding patterns of selected novel anticancer Himalayan plant derived active compounds with macromolecular …
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Virtual Screening Peptida Bioaktif Antihipertensi dari Hidrolisat Kasein Susu Kambing Etawa
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Foldamer-mediated manipulation of a pre-amyloid toxin
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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 …
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POM analyses and evaluation of in vitro antimicrobial, antitumor activity of 4H-pyrimido [2, 1-b] benzothiazole derivatives
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In silico analyses of epicoccamides on selected Leishmania trypanothione reductase enzyme-based target
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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 - degruyter.com
1, 2, 3-Triazole incorporated coumarin derivatives as potential antifungal and antioxidant agents
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Design, synthesis and biological evaluation of novel hydroxamic acids bearing artemisinin skeleton
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Pharmacological investigation of mono-, di-and tri-organotin (IV) derivatives of carbodithioates: Design, spectroscopic characterization, interaction with SS-DNA and …
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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 - researchgate.net
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 - pubs.rsc.org
Quantitative structure-activity relationship studies for potential Rho-associated protein kinase inhibitors
GC Gajo, TM de Assis, LC Assis, TC Ramalho… - Journal of …, 2016 - hindawi.com
MFPPI–Multi FASTA ProtParam Interface
VK Garg, H Avashthi, A Tiwari, PA Jain… - …, 2016 - ncbi.nlm.nih.gov
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 …
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Design, synthesis, and structure–activity relationship of novel and effective apixaban derivatives as FXa inhibitors containing 1, 2, 4-triazole/pyrrole derivatives as P2 …
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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 - mdpi.com
Computational Study of Molecular Electrostatic Potential, Drug Likeness Screening and Structure-Activity/Property Relationships of Thiazolidine-2, 4-Dione …
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Therapeutics insight with inclusive immunopharmacology explication of human rotavirus a for the treatment of Diarrhea
MU Hossain, A Hashem, CA Keya… - Frontiers in …, 2016 - frontiersin.org
Molecular dynamic screening sesquiterpenoid pogostemon herba as suggested cyclooxygenase inhibitor
SJ Raharjo, T Kikuchi - Acta Informatica Medica, 2016 - ncbi.nlm.nih.gov
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 - researchgate.net
Design and microwave assisted synthesis of novel 2-phenyl/2-phenylethynyl-3-aroyl thiophenes as potent antiproliferative agents
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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
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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
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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 …
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Molecular Docking Of Macarangin From Isolated Macaranga Denticulata With Two Targets Related To Diabetes
MSH Kabira, A Hasanataa, MM Hossaina, MM Nasir… - researchgate.net
In-Silico Study of Novel Folate Analogues as Anticancer which Inhibits Dihydrofolate Reductase
DYL Prayoga, RA Septiawan, E Jingga… - Science and …, 2016 - researchgate.net
A bioinformatics approach reveals the insecticidal property of Morinda tinctoria Roxb. against the cotton bollworm Helicoverpa armigra
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HOMOLOGY MODELING AND DEVELOPMENT OF DIHYDRODIPICONILATE REDUCTASE INHIBITORS OF KLEBSIELLA PNEUMONIA: A COMPUTATIONAL …
BV BHASKAR… - Int J Curr Pharm … - researchgate.net
Metronidazole derivatives as a new class of Antiparasitic agents, molecular properties prediction, synthesis and biological testing
A Dua'Y, TB Hadda, MS Mubarak - researchgate.net
Testing of 2-phenyliminothiazole derivatives for compliance with “Drug likeness” concept
HO Yeromina, ZG Ieromina, OV Kiz, LO Perekhoda - 2016 - dspace.nuph.edu.ua
This poster got first prize
M Alagumuthu, S Arumugam - researchgate.net
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
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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 - ingentaconnect.com
An integrated optical Bragg grating refractometer for volatile organic compound detection
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Role of Combinatorial Chemistry in the Field of New Drug Design
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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 - researchgate.net
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
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DESIGN, SYNTHESIS AND EVALUATION OF ANTITUBERCULAR ACTIVITY OF AMINO AZETIDINONES FROM ISONIAZID
B Thomas, J Harindran - International Journal of Pharmaceutical Sciences …, 2016 - ijpsr.com
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
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Structural requirements for potential HIV-integrase inhibitors identified using pharmacophore-based virtual screening and molecular dynamics studies
MA Islam, TS Pillay - Molecular BioSystems, 2016 - pubs.rsc.org
Solubility, photostability and antifungal activity of phenylpropanoids encapsulated in cyclodextrins
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Synthesis, antitumor and antimicrobial activity of some new 6-methyl-3-phenyl-4(3H)-quinazolinone analogues: in silico studies
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Synthesis, characterization and biological activities of 3-aryl-1, 4-naphthoquinones–green palladium-catalysed Suzuki cross coupling
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Design, synthesis, and molecular docking studies of a conjugated thiadiazole–thiourea scaffold as antituberculosis agents
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Applying medicinal chemistry strategies to understand odorant discrimination
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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 - ncbi.nlm.nih.gov
Correlations between molecular parameters of guest substances and their effect on model lipid membranes
AO Sadchenko, OV Vashchenko, NA Kasian… - Functional …, 2016 - dspace.nbuv.gov.ua
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
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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
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Determination of the lipophilicity of quinolinesulfonamides by reversed-phase HPLC and theoretical calculations
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SYNTHESIS, CHARACTERISATION, ANTIHELMINTIC, INSILICO AND TOXICITY PREDICTIONS OF NOVEL 5-(ARYL SUBSTITUTED)-5 …
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Synthesis and bioactivity of novel triazole incorporated benzothiazinone derivatives as antitubercular and antioxidant agent
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Molecular Properties and Insilico Neuroprotective Activity of Eugenol Against Glutamate Metabotrophic Receptors
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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
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Erythrosine B in the environment. Removal processes
LC APOSTOL, M GAVRILESCU - Food and Environment Safety Journal, 2016 - fia.usv.ro
Molecular Properties and Insilico Neuroprotective Activity of Eugenol Against Glutamate Metabotrophic Receptors
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Design and anti-HIV activity of arylsulphonamides as non-nucleoside reverse transcriptase inhibitors
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Identification of “Multiple Components-Multiple Targets-Multiple Pathways” Associated with Naoxintong Capsule in the Treatment of Heart Diseases Using UPLC/Q …
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Flurbiprofen–antioxidant mutual prodrugs as safer nonsteroidal anti-inflammatory drugs: synthesis, pharmacological investigation, and computational …
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Integrated computational approach for virtual hit identification against ebola viral proteins VP35 and VP40
MU Mirza, N Ikram - International journal of molecular sciences, 2016 - mdpi.com
The Structure–Photosynthesis-Inhibiting Activity Relationships of the Compounds Containing the N-Arylpiperazine Moiety
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Cyclopropane-1,2-dicarboxylic acids as new tools for the biophysical investigation of O-acetylserine sulfhydrylases by fluorimetric methods and saturation transfer …
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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
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Molecular Docking Studies of Sesquiterpenoids against Helicobacter pylori Peptide Deformylase
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Multivariate assessment of lipophilicity scales—Computational and reversed phase thin-layer chromatographic indices
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COMPUTATIONAL DRUG DISCOVERY OF POTENTIAL GLUCOKINASE SENSITIZER USE BY INSILICO STUDIES
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Synthesis and pharmacological evaluation of conformationally restricted κ-opioid receptor agonists
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Exploration of a Library of 3, 4‐(Methylenedioxy) aniline‐Derived Semicarbazones as Dual Inhibitors of Monoamine Oxidase and Acetylcholinesterase: Design …
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Inhibition of chikungunya virus replication by 1-[(2-methylbenzimidazol-1-yl) methyl]-2-oxo-indolin-3-ylidene] amino] thiourea (mbzm-n-ibt)
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study of inositol phosphorylceramide synthase–inhibitor complex in leishmaniasis: Insight into the structure based drug design [version 2; referees: 2 approved]
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Insilico Qsar And Molecular Docking Studies of Selected Medicinal Plant Compounds Against NS5 & NS3 Protein of Dengue Virus: A Comparative Approach
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Synthesis and activity of newly designed aroxyalkyl or aroxyethoxyethyl derivatives of piperazine on the cardiovascular and the central nervous systems
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Molecular Docking Study of Some Novel Combination of Tetrahydroimidazo [1, 2-a] pyridine and Trizole Heterocyclics for Anti Staphylococcus Aureus
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Marine derived compounds as binders of the White spot syndrome virus VP28 envelope protein: in silico insights from molecular dynamics and binding free energy …
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Affinity-controlled protein encapsulation into sub-30 nm telodendrimer nanocarriers by multivalent and synergistic interactions
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Computational-aided design of melatonin analogues with outstanding multifunctional antioxidant capacity
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Synthesis and photophysical studies of new benzo[a]phenoxazinium chlorides as potential antifungal agents
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DNA binding, cleavage activity, molecular docking, cytotoxicity and genotoxicity studies of newly synthesized copper based metal complexes
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Entendendo o processo químico de bioativação da sinvastatina por métodos experimentais e computacionais: uma aula prática
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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 …
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Design, synthesis and biological evaluation of novel 1, 2, 3-triazolyl $$\upbeta $$ β-hydroxy alkyl/carbazole hybrid molecules
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MOLECULAR DOCKING STUDY OF SOME NOVEL INDOLIZINE BASED HETEROCYCLICS FOR ANTI STAPHYLOCOCCUS AUREUS
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Pharmacokinetics of Polymersomes Composed of Poly (Butadiene-Ethylene Oxide); Healthy versus Tumor-Bearing Mice
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Essential oil components decrease pulmonary and hepatic cells inflammation induced by air pollution particulate matter
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Identification of novel bacterial DNA gyrase inhibitors: An in silico study
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Molecular docking study to evaluate the carcinogenic potential and mammalian toxicity of thiophosphonate pesticides by cluster and discriminant analysis
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Four Compounds Suppressing Growth of Mycobacterium tuberculosis
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Understanding the chemical process related to the bioactivation of simvastatin through experimental and in silico methods: a practical class
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Synthesis and evaluation against Leishmania amazonensis of novel pyrazolo [3, 4-d] pyridazinone-N-acylhydrazone-(bi) thiophene hybrids
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High body clearance and low oral bioavailability of alantolactone, isolated from Inula helenium, in rats: extensive hepatic metabolism and low stability in …
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Fragment‐Based Protein–Protein Interaction Antagonists of a Viral Dimeric Protease
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Novel soluble epoxide hydrolase inhibitors with a dihydropyrimidinone scaffold: design, synthesis and biological evaluation
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Anuradha Singh, Madhu Yadav, Ritika Srivastava, Nidhi Singh, Rajinder Kaur
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Dispersant‐free dyeing of poly (lactic acid) fabric with temporarily solubilised disperse dyes from azopyridone derivatives
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Amino‐substituted para‐Benzoquinones as Potential Herbicides
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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
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Self‐assembly of the cyclic lipopeptide daptomycin: spherical micelle formation does not depend on the presence of calcium chloride
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Synthese und Chemie neuer antitumoraler Organometallkomplexe
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Synthesis and evaluation of dihydropyrimidinone-derived selenoesters as multi-targeted directed compounds against Alzheimer's disease
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Antioxidant properties of kynurenines: density functional theory calculations
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Deuterium Labeling Strategies for Creating Contrast in Structure–Function Studies of Model Bacterial Outer Membranes Using Neutron Reflectometry
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Exploring the scope of new arylamino alcohol derivatives: Synthesis, antimalarial evaluation, toxicological studies, and target exploration
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Studies on Some Underutilized Edible Fruits in India
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The Synthesis of Novel Fluorinated 9-Amino Acridones as Potential Topoisomerase IIα Poisons
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Giovanna Cardoso Gajo, Tamiris Maria de Assis, Letícia Cristina Assis
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Synthesis, anticancer activity and photostability of novel 3-ethyl-2-mercapto-thieno [2, 3-d] pyrimidin-4 (3H)-ones
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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
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The adrenal specific toxicant mitotane directly interacts with lipid membranes and alters membrane properties depending on lipid composition
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Synthesis and crystal structure of N-[(dimethylamino)methylidene]-4-[1-(4-nitrophenyl)-1H-tetrazol-5-yl]-benzenesulfonamide: Molecular docking and bioassay …
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Design, synthesis, characterization and biological evaluation of anti-tubercular agents targeting mtfab d, malonyl coa-acyl carrier protein transacylase
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Discovery of novel dengue NS2B/NS3 protease inhibitors using pharmacophore modeling and molecular docking based virtual screening of the zinc …
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Synthesis and evaluation of thiophene-based guanylhydrazones (iminoguanidines) efficient against panel of voriconazole-resistant fungal isolates
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[Et3NH][HSO4] catalyzed efficient synthesis of 5-arylidene-rhodanine conjugates and their antitubercular activity
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Study of the slope of the linear relationship between retention and mobile phase composition (Snyder-Soczewiñski model) in normal phase liquid chromatography …
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Toxicity study of dibutyl phthalate of Rubia cordifolia fruits: in vivo and in silico analysis
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Cytotoxicity studies of coumarin analogs: design, synthesis and biological activity
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To appear in: Informatics in Medicine Unlocked
AB Gurung, A Bhattacharjee, MA Ali - 2016 - fac.ksu.edu.sa
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Design, synthesis and biological evaluation of chalconyl blended triazole allied organosilatranes as giardicidal and trichomonacidal agents
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Стимулятори ферментативної активності спиртових дріжджів
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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
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Synthesis and evaluation of novel serotonin 4 receptor radiotracers for single photon emission computed tomography
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Interaction of fluorescent phospholipids with cyclodextrins
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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 …
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Exploring coumarin potentialities: development of new enzymatic inhibitors based on the 6-methyl-3-carboxamidocoumarin scaffold
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In silico identification of putative bifunctional Plk1 inhibitors by integrative virtual screening and structural dynamics approach
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1, 3-diphenylpropan-1-ones as allosteric modulators of α7 nACh receptors with analgesic and antioxidant properties
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Synthesis, and prediction of molecular properties and antimicrobial activity of some acylhydrazones derived from -(arylsulfonyl)methionine
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Development of a Novel Nonpeptidic 18F-Labeled Radiotracer for in Vivo Imaging of Oxytocin Receptors with Positron Emission Tomography
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2-Oxo-1, 2-dihydropyridinyl-3-yl amide-based GPa inhibitors: Design, synthesis and structure-activity relationship study
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DESIGN, SYNTHESIS, CHARACTERIZATION AND BIOLOGICAL EVALUATION OF ANTI-TUBERCULAR AGENTS TARGETING DECAPRENYL PHOSPHORYL …
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Bioassay-guided isolation and POM analyses of a new immunomodulatory polyphenolic constituent from Callistemon viridiflorus
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Design, synthesis and evaluation of novel indandione derivatives as multifunctional agents with cholinesterase inhibition, anti-β-amyloid aggregation, antioxidant and …
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The interaction of sorafenib and regorafenib with membranes is modulated by their lipid composition
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Synthesis, in vitro Antiproliferative and Anti-Mycobacterium tuberculosis Activities of Novel β-Carboline Derivatives
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Design, Synthesis and Antimalarial Activity of Some New 2-Hydroxy-1, 4-naphthoquinone-4-hydroxyaniline Hybrid Mannich Bases.
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Synthesis, antiamoebic and molecular docking studies of furan-thiazolidinone hybrids
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Anti-Inflammatory activity of novel series of isoniazid derivatives
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Synthesis, antibacterial and antiproliferative potential of some new 1-pyridinecarbonyl-4-substituted thiosemicarbazide derivatives
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Towards targeting anticancer drugs: ruthenium (ii)–arene complexes with biologically active naphthoquinone-derived ligand systems
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Effects of 1,3,5-triphenyl-4,5-dihydro-1H-pyrazole derivatives on cell-cycle and apoptosis in human acute leukemia cell lines
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In Silico Analyses, Bioequivalence and Disposition Kinetics of Allopurinol in Healthy Male Subjects
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Organochlorine contaminants in the muscle, liver and brain of seabirds (Larus) from the coastal area of the Southern Baltic
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Synthesis and pharmacological evaluation of new 3, 4-dihydroisoquinolin derivatives containing heterocycle as potential anticonvulsant agents
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Carbon-11 and Fluorine-18 Radiolabeled Pyridopyrazinone Derivatives for Positron Emission Tomography (PET) Imaging of Phosphodiesterase-5 (PDE5)
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Chemoinformatics: The stakeholder of Information Solutions for Chemical and Allied Medical Domain
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Molecular properties prediction and synthesis of new oxadiazole derivatives possessing 3-fluoro-4-methoxyphenyl moiety as potent anti-inflammatory and analgesic …
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A comparative study of chromatographic behavior and lipophilicity of selected imidazoline derivatives
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Selenoergothionein as a Potential Inhibitor against Amyloid β-Protein (Aβ): Docking and Molecular Dynamics Studies
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Synthesis, bioevaluation and molecular dynamic simulation studies of dexibuprofen–antioxidant mutual prodrugs
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Structural and biochemical characterization of two heme binding sites on α1-microglobulin using site directed mutagenesis and molecular simulation
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The molecular shape and the field similarities as criteria to interpret SAR studies for fragment-based design of platinum (IV) anticancer agents. Correlation of …
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Development of Blood–Brain Barrier Permeable Nitrocatechol-Based Catechol O-Methyltransferase Inhibitors with Reduced Potential for Hepatotoxicity
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Synthesis, biological evaluation and molecular docking studies of N-acylheteroaryl hydrazone derivatives as antioxidant and anti-inflammatory agents
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Structure activity relationship, cytotoxicity and evaluation of antioxidant activity of curcumin derivatives
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Evaluation of Phytochemical compounds from Carica papaya as Potential drugs against Dengue virus: An In silico approach
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Optimized method for TAG protein homology modeling: In silico and experimental structural characterization
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In Silico Elucidation and Inhibition Studies of Selected Phytoligands Against Mitogen-Activated Protein Kinases of Protozoan Parasites
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Discovery of novel phenoxazinone derivatives as DKK1/LRP6 interaction inhibitors: Synthesis, biological evaluation and structure–activity relationships
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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] …
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Synthesis, biological evaluation and molecular docking studies of some novel indenospiro derivatives as anticancer agents
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Multifunctional quinoline-triazole derivatives as potential modulators of amyloid-β peptide aggregation
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INVESTIGATION OF ANTICANCER POSSIBILITY ABOUT SPIROPYRANOPYRAZOLE SUBSIDIARIES SIMILARLY AS CDK7. INHIBITORS
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Síntese e estudo in silico de derivados de naproxeno com potencial atividade anti-inflamatória
HJF Conejo - 2016 - repositorio.roca.utfpr.edu.br
Novel heteroaryl selenocyanates and diselenides as potent antileishmanial agents
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Antibacterial efficacy of fractions and compounds from Indigofera barberi: Identification of DNA gyrase B inhibitors through pharmacophore based virtual screening
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Fluorine-containing benzothiazole as a novel trypanocidal agent: design, in silico study, synthesis and activity evaluation
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3′-O- and 5′-O-Propargyl Derivatives of 5-Fluoro-2′-Deoxyuridine: Synthesis, Cytotoxic Evaluation and Conformational Analysis
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Changes in the luminescence emission of α, β-unsaturated acrylonitrile derivatives: morphology, polymorphism and solvent effect
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Synthesis and evaluation of gallocyanine dyes as potential agents for the treatment of Alzheimer's disease and related neurodegenerative tauopathies
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The role of charge transfer in the photophysics of dithiophene-based (NIADs) fluorescent markers for amyloid-β detection
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Bis-pyridylethenyl benzene as novel backbone for amyloid-β binding compounds
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A New Insight of Herbal Promises Against Ocular Disorders: An Occuloinformatics Approach
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Discovery of novel dual inhibitors against Mdm2 and Mdmx proteins by in silico approaches and binding assay
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Inhibition of LPS-induced no production in RAW264. 7 cell lines: synthesis and molecular modeling of α-ketophosphonates of febuxostat
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Discovery of new chemical entities for old targets: insights on the lead optimization of chromone-based monoamine oxidase B (MAO-B) inhibitors
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Computer representation of chemical compounds
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Comparison of protein phosphatase inhibition assay with LC-MS/MS for diagnosis of microcystin toxicosis in veterinary cases
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Convergent synthesis and cytotoxicity of novel trifluoromethyl-substituted (1H-pyrazol-1-yl)(quinolin-4-yl) methanones
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Polysulfides in biology: From intricate chemistry to an astonishing yet hidden biological activity
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Phenyl-guanidine derivatives as potential therapeutic agents for glioblastoma multiforme: catalytic syntheses, cytotoxic effects and DNA affinity
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Experimental and computational approaches of a novel methyl (2E)-2-{[N-(2-formylphenyl)(4-methylbenzene)sulfonamido]methyl}-3-(4-chlorophenyl)prop-2-enoate …
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Benzothiazole amphiphiles promote the formation of dendritic spines in primary hippocampal neurons
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Synthesis, anticlotting and antiplatelet effects of 1, 2, 3-triazoles derivatives
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Expeditious entry to functionalized pseudo-peptidic organoselenide redox modulators via sequential Ugi/SN methodology
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Computer aided drug designing of 2-(1H-indol-3-yl) morpholin-3-ol as a mast cell tryptase receptor antagonist to cure asthma
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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 - jstage.jst.go.jp
Pharmacokinetic modeling of a gel-delivered dapivirine microbicide in humans
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In silico driven design and synthesis of rhodanine derivatives as novel antibacterials targeting the enoyl reductase InhA
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Synthesis, characterization and biological evaluation of bile acid-aromatic/heteroaromatic amides linked via amino acids as anti-cancer agents
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Anticancer Vitamin K3 Analogs: A Review
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In vivo phase II-enzymes inducers, as potential chemopreventive agents, based on the chalcone and furoxan skeletons
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Synthesis and Antifungal Activity Against Candida Strains of Mesoionic System Derived From 1, 3-Thyazolium-5-thiolate
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Design and synthesis of novel hydroxypyridinone derivatives as potential tyrosinase inhibitors
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Sulfone-Containing Methacrylate Homopolymers: Wetting and Thermal Properties
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Light-triggered CO delivery by a water-soluble and biocompatible manganese photoCORM
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Synthesis and structure-activity relationship of some new thiophene-based heterocycles as potential antimicrobial agents
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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 …
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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 …
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Cyanidin-3-O-glucoside: physical-chemistry, foodomics and health effects
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Comparative Study of Carbon Paste, Screen Printed, and PVC Potentiometric Sensors Based on Copper‐sulphamethazine Schiff Base Complex for Determination of …
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Structural requirements for potential HIV-integrase inhibitors identified using pharmacophore-based virtual screening and molecular dynamics studies1
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Alkylrhodamines enhance the toxicity of clotrimazole and benzalkonium chloride by interfering with yeast pleiotropic ABC-transporters
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4-(1, 2-diarylbut-1-en-1-yl) isobutyranilide derivatives as inhibitors of topoisomerase II
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Synthesis, in vitro potential and computational studies on 2-amino-1, 4-dihydropyrimidines as multitarget antibacterial ligands
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Ultra-fast computation of electronic spectra for large systems by tight-binding based simplified Tamm-Dancoff approximation (sTDA-xTB)
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In silico studies most employed in the discovery of new antimicrobial agents
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Cardanol-derived AChE inhibitors: towards the development of dual binding derivatives for Alzheimer's disease
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New 3′-O-aromatic acyl-5-fluoro-2′-deoxyuridine derivatives as potential anticancer agents
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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
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Synthesis of new donepezil analogues and investigation of their effects on cholinesterase enzymes
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Bioaccessibility and Antioxidant Activity of Calendula officinalis Supercritical Extract as Affected by in Vitro Codigestion with Olive Oil
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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 - pubs.rsc.org
Cyclodextrins as encapsulation material for flavors and aroma
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Development of novel HER2 inhibitors against gastric cancer derived from flavonoid source of Syzygium alternifolium through molecular dynamics and …
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Smart drugs: Towards synergistic effects of biologically active ligand systems and metal centers
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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
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TARGETING PROTEIN INTERACTIONS WITH BIOTECHNOLOGICAL ORIGINAL MOLECULES: A NMR AND MOLECULAR MODELLING INTEGRATED APPROACH
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Interactions protéines-molécules biotechnologiques originales: une approche intégrée de RMN et de modélisation moléculaire
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Dyes and Drugs: New Uses and Implications
HH Trimm, W Hunter Jr - 2016 - content.taylorfrancis.com
Estudo da apocinina e diapocinina e seus derivados de chalconas como antioxidante e antibacterianos potenciais: síntese, avaliação da ação antibacteriana …
CLS Machado - 2016 - dspace.unipampa.edu.br
On the syneresis of an OPV functionalised dipeptide hydrogel
AM Castilla, M Wallace, LLE Mears, ER Draper… - Soft Matter, 2016 - pubs.rsc.org
POTENT BIOLOGICAL AGENT BENZIMIDAZOLE–A REVIEW
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Síntese de novos compostos organosselênicos com potencial atividade antimicrobiana e antitumoral
MFN Huang - 2016 - repositorio.ufpb.br
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 - ncbi.nlm.nih.gov
New hybrid bromopyridine-chalcones as in vivo phase II enzyme inducers: potential chemopreventive agents
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Design, synthesis and antitrypanosomal activities of 2, 6-disubstituted-4, 5, 7-trifluorobenzothiophenes
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Design and synthesis of 5-aminolaevulinic acid/3-hydroxypyridinone conjugates for photodynamic therapy: enhancement of protoporphyrin IX production and photo …
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Nickel Catalyzed Coupling Reactions and Studies on Pyranopyrazole Heterocyclic Molecules
A Sharma - 2016 - ir.inflibnet.ac.in
QSAR analysis of N-1-substituted 1, 2, 4-triazoles against Escherichia coli
V Dimova, I Jordanov, L Dimitrov - BULGARIAN CHEMICAL …, 2016 - bcc.bas.bg
Avaliação da atividade biológica de β-Citronelol sobre Candida albicans
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Synthesis of new thieno[2,3-b]pyridine derivatives as pim-1 inhibitors
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Experimental Active-Site Mapping by Fragments: Hot Spots Remote from the Catalytic Center of Endothiapepsin
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Uticaj žučnih kiselina na bioraspoloživost makrolidnih antibiotika
J Trifunović - 2016 - nardus.mpn.gov.rs
Chemical probes for histone lysine demethylases
P Gerken - 2016 - ora.ox.ac.uk
Photophysical properties of 3MPBA: Evaluation and co-relation between solvatochromism and quantum yield in different solvents
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Planejamento in silico de inibidores da enzima dihidrofolato redutase
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REVIEW ON PHYTOPHARMACOLOGICAL ACTIVITIES OF ANDROGRAPHIS PANICULATA (BURM. F) NEES.
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Synthesis of Se, Te-containing molecular complexes on a base of symmetric triazoles.
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First Structure–Activity Relationship of 17β-Hydroxysteroid Dehydrogenase Type 14 Nonsteroidal Inhibitors and Crystal Structures in Complex with the Enzyme
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Synthesis of hybrid natural product analogues with anti-tumour properties
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Atividade antimicobacteriana in vitro de lactonas sesquiterpênicas e investigação do seu mecanismo de ação
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Étude par la chimie informatique, des corrélations structures-activités/propriétés dans des hétérocycles à intérêt thérapeutique
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Blue light emitting self-healable graphene quantum dot embedded hydrogels
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Antimicrobial Characterization and Therapeutic Applications of Novel Synthetic Thiazole Compounds against Multidrug-Resistant Staphylococci and Enterococci
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Preparation of phytosomes of Gossypin and evaluation of antiepileptic activity in animal models
N DHEERAJ - 2016 - ir.inflibnet.ac.in
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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
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Structure-Antimalarial Activity Study of Artemisinin-Quinine Hybrids
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Novel oxazine and oxazone dyes: aggregation behavior and physicochemical properties
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Uticaj soli žučnih kiselina na prodor i metabolizam simvastatina u probiotskim bakterijama
M Đanić - 2016 - nardus.mpn.gov.rs
Heteroaryl chalcone allied triazole conjugated organosilatranes: synthesis, spectral analysis, antimicrobial screening, photophysical and theoretical investigations
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A Novel Series of Thiazoles and 1, 3, 4-Thiadiazoles Bearing Thiazole Moiety as Anticancer Agents: Synthesis, Spectral Studies, Biological Evaluation and Structure …
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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 - tede.biblioteca.ufpb.br
Occupational exposure to organophosphorus pesticides: exploratory case studies of factors influencing glove performance and skin penetration
I Ismail - 2016 - digital.library.adelaide.edu.au
Atividades Antifúngica e Toxicológica In Silico dos Enantiômeros (R)-(+)-e (S)-(-)-citronelal
CIS Medeiros - 2016 - bdtd.biblioteca.ufpb.br
DNA scaffolded silver clusters: a critical study
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Rational Design, Synthesis and Evaluation of Benzothiazole Amphiphiles with Applications in Neurodegenerative Diseases
JL Cifelli - 2016 - escholarship.org
Computational modeling of fluorescent markers for amyloid detection
F Peccati - 2016 - ddd.uab.cat
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 - repositorio.ul.pt
Development and evaluation of a library of novel 18 F-labelled PET tracers targeting the P2X7 receptor
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Korelacija strukture i hromatografskog ponašanja polioksigenovanih steroida u uslovima planarne hromatografije
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nus.edu.sg NOVEL CX/CX BOND FORMATIONS USING 1, 3-DICARBONYLS AND THEIR DERIVATIVES IN THE SYNTHESIS OF POLYSUBSTITUTED HETEROCYCLES
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QSAR Studies and Predicted Toxicity of N-Arylhydroxamic Acids
MJM Takač, M Barbarić - 5th Croatian Congress of Toxicology with …, 2016 - bib.irb.hr
Development of new screening methodologies and preparation methods with application in amorphous solid dispersions and pharmaceutical cocrystals
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Редактор химических формул для поддержки процесса обучения
АА Винидиктов - 2016 - elib.sfu-kras.ru
Extraction and quantification of bioactive Tyrian purple precursors: A comparative and validation study from the hypobranchial gland of a muricid Dicathais …
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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 - researchgate.net
Active Site Mapping of an Aspartic Protease by Multiple Fragment Crystal Structures: Versatile Warheads To Address a Catalytic Dyad
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Design, Synthesis and Molecular Docking Studies of 2-Aryl/Heteroaryl-Ethyl 6-Chloroquinoline-4-Carboxylates as Potential Antimalarial Agents
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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
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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
MOLECULAR AND PROCESS DETERMINANTS OF SELF-ASSEMBLIES FROM AMPHIPHILIC MACROMOLECULAR BRUSHES
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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 - teses.usp.br
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 - repositorio.unicamp.br
ucl.ac.uk Understanding the Influence of Adsorption-Mediated Processes on Antibody Aggregation in Bioprocessing
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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 - repositorio.ul.pt
Exciton Polariton Modes in Nanostructures
MJ Gentile - 2016 - ore.exeter.ac.uk
Design, Synthesis and Biological Evaluation of Potential Inhibitors of S100P, a Protein implicated in Pancreatic Cancer
R Camara - 2016 - uhra.herts.ac.uk
Influence of Structure and Surface Chemistry of Porous Carbon Electrodes on Supercapacitor Performance
B Dyatkin - 2016 - search.proquest.com
Tool development to study ubiquitination machinery
J Ward - 2016 - spiral.imperial.ac.uk
Design Synthesis and Evaluation of Novel Anticancer Agents
M Singh - 2016 - ir.inflibnet.ac.in
Towards New Peptide-Based Therapeutics and Tools for Chemical Biology
T Koopmans - 2016 - dspace.library.uu.nl
Targeting dietary antioxidants to mitochondria: regulating mitochondrial radical production and redox signaling to improve human health
JCS Teixeira - 2016 - repositorio-aberto.up.pt
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