Works about STRUCTURE-activity relationship in pharmacology

Results: 398

Estimating glycosaminoglycan-protein interaction affinity: water dominates the specific antithrombin-heparin interaction.

Published in:

Glycobiology, 2016, v. 26, n. 10, p. 1041, doi. 10.1093/glycob/cww073

By:

Sarkar, Aurijit;
Wenbo Yu;
Desai, Umesh R.;
MacKerell, Alexander D.;
Mosier, Philip D.

Publication type:

Article

Exploiting Endocytosis for Non-Spherical Nanoparticle Cellular Uptake.

Published in:

Nanomanufacturing, 2022, v. 2, n. 1, p. 1, doi. 10.3390/nanomanufacturing2010001

By:

Niaz, Saad;
Forbes, Ben;
Raimi-Abraham, Bahijja Tolulope

Publication type:

Article

PHARMACOPHORE MODELING STUDIES ON KNOWN MMP-9 ENZYME INHIBITORS TO IDENTIFY THE IMPORTANT COMMON FEATURES.

Published in:

Journal of Faculty of Pharmacy of Ankara University / Ankara Üniversitesi Eczacilik Fakültesi Dergisi, 2020, v. 44, n. 2, p. 204, doi. 10.33483/jfpau.690373

By:

ERTAN-BOLELLI, Tugba;
BOLELLI, Kayhan

Publication type:

Article

Construction of the Pentacyclic Core and Formal Total Synthesis of (rac)‐Renieramycin T.

Published in:

ChemistryOpen, 2018, v. 7, n. 10, p. 753, doi. 10.1002/open.201800178

By:

Kimura, Shinya;
Saito, Naoki

Publication type:

Article

STRUCTURE-ANTIMICROBIAL PROPERTIES STUDY OF SOME DIBASIC PHENYLCARBAMIC ACID ESTERS.

Published in:

Indonesian Journal of Pharmacy / Majalah Farmasi Indonesia, 2016, v. 27, n. 1, p. 53, doi. 10.14499/indonesianjpharm27iss1pp53

By:

Csöllei, Jozef;
Malík, Ivan;
Bukovský, Marián

Publication type:

Article

G-protein coupled receptors: SAR analyses of neurotransmitters and antagonists.

Published in:

Journal of Clinical Pharmacy & Therapeutics, 2004, v. 29, n. 3, p. 279, doi. 10.1111/j.1365-2710.2004.00563.x

By:

Kuo, C. L.;
Wang, R. B.;
Shen, L. J.;
Lien, L. L.;
Lien, E. J.

Publication type:

Article

Structure-activity analysis of a novel NR2C/NR2D-preferring NMDA receptor antagonist: 1-(phenanthrene-2-carbonyl) piperazine-2,3-dicarboxylic acid.

Published in:

2004

By:

Feng, Bihua;
Tse, Heong A.;
Skifter, Donald A.;
Morley, Richard;
Jane, David E.;
Monaghan, Daniel T.;
Tse, Heong W

Publication type:

journal article

Corrigendum to Halogenation of a capsaicin analogue leads to novel vanilloid TRPVI receptor antagonists.

Published in:: 2003
Publication type:: Correction Notice

trans-4-Amino-2-methylbut-2-enoic acid (2-MeTACA) and (±)-trans-2-aminomethylcyclopropanecarboxylic acid ((±)-TAMP) can differentiate rat ρ3 from human ρ1 and ρ2 recombinant GABA[subc] receptors.

Published in:

British Journal of Pharmacology, 2002, v. 135, n. 4, p. 883, doi. 10.1038/sj.bjp.0704432

By:

Vien, Jimmy;
Duke, Rujee K.;
Mewett, Kenneth N.;
Johnston, Graham A.R.;
Shingai, Ryuzo;
Chebib, Mary

Publication type:

Article

Study of Structure-active Relationship for Inhibitors of HIV-1 Integrase LEDGF/p75 Interaction by Machine Learning Methods.

Published in:

Molecular Informatics, 2017, v. 36, n. 7, p. n/a, doi. 10.1002/minf.201600127

By:

Li, Yang;
Wu, Yanbin;
Yan, Aixia

Publication type:

Article

Systematic Identification of Matching Molecular Series and Mapping of Screening Hits.

Published in:

Molecular Informatics, 2014, v. 33, n. 4, p. 257, doi. 10.1002/minf.201400017

By:

de la Vega de León, Antonio;
Hu, Ye;
Bajorath, Jürgen

Publication type:

Article

BCRP Inhibition: from Data Collection to Ligand-Based Modeling.

Published in:

Molecular Informatics, 2014, v. 33, n. 5, p. 322, doi. 10.1002/minf.201400012

By:

Montanari, Floriane;
Ecker, Gerhard F.

Publication type:

Article

Activity Landscapes, Information Theory, and Structure - Activity Relationships.

Published in:

Molecular Informatics, 2013, v. 32, n. 5/6, p. 421, doi. 10.1002/minf.201200120

By:

Iyer, Preeti;
Stumpfe, Dagmar;
Vogt, Martin;
Bajorath, J.;
Maggiora, G. M.

Publication type:

Article

A computational method to facilitate structure-activity relationship transfer.

Published in:

2012

By:

Wassermann, Anne Mai;
Bajorath, Jürgen

Publication type:

Abstract

Protein–protein interactions: Making drug design second nature.

Published in:

Nature Chemistry, 2009, v. 1, n. 8, p. 596, doi. 10.1038/nchem.427

By:

Sackett, Dan L.;
Sept, David

Publication type:

Article

QSAR study on quinolinecarbaldehyde derivatives as potential anti-tubercular agents.

Published in:

Thai Journal of Pharmaceutical Sciences, 2016, v. 40, n. 2, p. 72

By:

Veerasamy, Ravichandran;
Sivadasan, Shalini;
Krishnamoorthi, Venakteskumar;
Rajak, Harish;
Krishnan, Sureshkumar

Publication type:

Article

Global mapping of pharmacological space.

Published in:

Nature Biotechnology, 2006, v. 24, n. 7, p. 805, doi. 10.1038/nbt1228

By:

Paolini, Gaia V.;
Shapland, Richard H. B.;
van Hoorn, Willem P.;
Mason, Jonathan S.;
Hopkins, Andrew L.

Publication type:

Article

Patent protection for protein structure analysis.

Published in:

Nature Biotechnology, 2004, v. 22, n. 1, p. 109, doi. 10.1038/nbt0104-109

By:

Shimbo, Itsuki;
Nakajima, Rie;
Yokoyama, Shigeyuki;
Sumikura, Koichi

Publication type:

Article

Integrating regression and classification-based QSARs with molecular docking analyses to explore the structure-antiaromatase activity relationships of letrozole-based analogs.

Published in:

Canadian Journal of Chemistry, 2017, v. 95, n. 12, p. 1285, doi. 10.1139/cjc-2017-0419

By:

Adhikari, Nilanjan;
Amin, Sk. Abdul;
Jha, Tarun;
Gayen, Shovanlal

Publication type:

Article

Nano-QSAR models for predicting cytotoxicity of metal oxide nanoparticles (MONPs) to E. coli.

Published in:

Canadian Journal of Chemistry, 2017, v. 95, n. 8, p. 863, doi. 10.1139/cjc-2017-0172

By:

Zhou, Zhengwei;
Tang, Xinwen;
Dai, Wen;
Shi, Jingjie;
Chen, Haiqun

Publication type:

Article

Structural Requirements for some 3-amino-Nsubstituted- 4-(substituted phenyl) Butanamides as Dipeptidyl Peptidase-IV Inhibitors Using 3D-QSAR and Molecular Docking Approaches.

Published in:

Indian Journal of Pharmaceutical Sciences, 2017, v. 79, n. 6, p. 974, doi. 10.4172/pharmaceutical-sciences.1000315

By:

GHODE, P.;
JAIN, S. K.

Publication type:

Article

CoMFA, CoMSIA, HQSAR and Molecular Docking Analysis of Ionone-based Chalcone Derivatives as Antiprostate Cancer Activity.

Published in:

Indian Journal of Pharmaceutical Sciences, 2016, v. 78, n. 1, p. 54, doi. 10.4103/0250-474X.180251

By:

SHARMA, R.;
DHINGRA, N.;
PATIL, S.

Publication type:

Article

Medicinal compounds with antiepileptic/anticonvulsant activities.

Published in:

Epilepsia (Series 4), 2014, v. 55, n. 1, p. 3, doi. 10.1111/epi.12463

By:

Zhu, Hui‐Ling;
Wan, Jian‐Bo;
Wang, Yi‐Tao;
Li, Bao‐Cai;
Xiang, Cheng;
He, Jing;
Li, Peng

Publication type:

Article

How did phenobarbital's chemical structure affect the development of subsequent antiepileptic drugs (AEDs)?

Published in:

Epilepsia (Series 4), 2012, v. 53, p. 3, doi. 10.1111/epi.12024

By:

Bialer, Meir

Publication type:

Article

Survey of the occurrence of pharmaceuticals in Spanish finished drinking waters.

Published in:

Environmental Science & Pollution Research, 2014, v. 21, n. 18, p. 10917, doi. 10.1007/s11356-014-2885-9

By:

Boleda, M.;
Alechaga, Élida;
Moyano, Encarnación;
Galceran, M.;
Ventura, Francesc

Publication type:

Article

Structure-activity relationships of cadinane-type sesquiterpene derivatives against wood-decay fungi.

Published in:

Holzforschung: International Journal of the Biology, Chemistry, Physics, & Technology of Wood, 2005, v. 59, n. 6, p. 620, doi. 10.1515/HF.2005.100

By:

Chi-Lin Wu;
Shih-Chang Chien;
Sheng-Yang Wang;
Yueh-Hsiung Kuo;
Shang-Tzen Chang

Publication type:

Article

Food and pharmacology.

Published in:: Physician & Sportsmedicine, 1996, v. 24, n. 5, p. 30
Publication type:: Article

A delicate mix.

Published in:

Physician & Sportsmedicine, 1996, v. 24, n. 5, p. 29, doi. 10.3810/psm.1996.05.1364

By:

Kleiner, Susan M.

Publication type:

Article

Impedance technology reveals correlations between cytotoxicity and lipophilicity of mono and bimetallic phosphine complexes.

Published in:

BioMetals, 2015, v. 28, n. 4, p. 653, doi. 10.1007/s10534-015-9851-y

By:

Fonteh, P.;
Elkhadir, A.;
Omondi, B.;
Guzei, I.;
Darkwa, J.;
Meyer, D.

Publication type:

Article

Total Synthesis and Complete Structural Assignment of Gambieric Acid A, a Large Polycyclic Ether Marine Natural Product.

Published in:

Chemical Record, 2014, v. 14, n. 4, p. 678, doi. 10.1002/tcr.201402052

By:

Sasaki, Makoto;
Fuwa, Haruhiko

Publication type:

Article

Isolation of a lupane triterpene fatty acid ester with antibacterial activity from the leaves of Finlaysonia obovata.

Published in:

Chemistry of Natural Compounds, 2012, v. 48, n. 1, p. 161, doi. 10.1007/s10600-012-0191-7

By:

Mishra, Pravat;
Sree, A.;
Panigrahi, Mallika

Publication type:

Article

Structure-activity relationships for thiol reactivity and rat or human hepatocyte toxicity induced by substituted p-benzoquinone compounds.

Published in:

Journal of Applied Toxicology, 2008, v. 28, n. 5, p. 608, doi. 10.1002/jat.1312

By:

Chan, Katie;
Jensen, Neil;
O'Brien, Peter J.

Publication type:

Article

新型帕唑帕尼衍生物的合成与活性初步研究.

Published in:

Journal of Central China Normal University, 2017, v. 51, n. 6, p. 782, doi. 10.19603/j.cnki.1000-1190.2017.06.010

By:

刘娥;
李立威

Publication type:

Article

2-Methoxyestradiol and its analogs. Synthesis and structure-antiproliferative activity relationship.

Published in:

Russian Journal of Organic Chemistry, 2015, v. 51, n. 9, p. 1207, doi. 10.1134/S1070428015090018

By:

Zefirov, N.;
Zefirova, O.

Publication type:

Article

Synthesis and Antibacterial Screening of Some 1-Aroyl-3-aryl Thiourea Derivatives.

Published in:

ISRN Otolaryngology, 2014, p. 1, doi. 10.1155/2014/393102

By:

Soni, Love Kumar;
Narsinghani, Tamanna;
Jain, Rica

Publication type:

Article

1,4-Dihydropyridine Calcium Channel Blockers: Homology Modeling of the Receptor and Assessment of Structure Activity Relationship.

Published in:

ISRN Otolaryngology, 2014, p. 1, doi. 10.1155/2014/203518

By:

Shaldam, Moataz A.;
Elhamamsy, Mervat H.;
Esmat, Eman A.;
El-Moselhy, Tarek F.

Publication type:

Article

Synthesis, Structure–Activity Relationships and In Vitro Toxicity Profile of Lactose-Based Fatty Acid Monoesters as Possible Drug Permeability Enhancers.

Published in:

Pharmaceutics, 2018, v. 10, n. 3, p. 81, doi. 10.3390/pharmaceutics10030081

By:

Lucarini, Simone;
Fagioli, Laura;
Cavanagh, Robert;
Liang, Wanling;
Perinelli, Diego Romano;
Campana, Mario;
Stolnik, Snjezana;
Lam, Jenny K. W.;
Casettari, Luca;
Duranti, Andrea

Publication type:

Article

Peptides and Peptidomimetics for Antimicrobial Drug Design.

Published in:

Pharmaceuticals (14248247), 2015, v. 8, n. 3, p. 366, doi. 10.3390/ph8030366

By:

Mojsoska, Biljana;
Jenssen, Håvard

Publication type:

Article

In vivo laser confocal microscopy findings of a cornea with osteogenesis imperfecta.

Published in:

Clinical Ophthalmology, 2014, v. 8, p. 429, doi. 10.2147/OPTH.S58087

By:

Akira Kobayashi;
Tomomi Higashide;
Hideaki Yokogawa;
Natsuko Yamazaki;
Toshinori Masaki;
Kazuhisa Sugiyama

Publication type:

Article

Structure-Activity Relationship Studies on the Macrolide Exotoxin Mycolactone of Mycobacterium ulcerans.

Published in:

PLoS Neglected Tropical Diseases, 2013, v. 7, n. 3, p. 1, doi. 10.1371/journal.pntd.0002143

By:

Scherr, Nicole;
Gersbach, Philipp;
Dangy, Jean-Pierre;
Bomio, Claudio;
Li, Jun;
Altmann, Karl-Heinz;
Pluschke, Gerd

Publication type:

Article

Selective Inhibitors of Protozoan Protein Nmyristoyltransferases as Starting Points for Tropical Disease Medicinal Chemistry Programs.

Published in:

PLoS Neglected Tropical Diseases, 2012, v. 6, n. 4, p. 1, doi. 10.1371/journal.pntd.0001625

By:

Bell, Andrew S.;
Mills, James E.;
Williams, Gareth P.;
Brannigan, James A.;
Wilkinson, Anthony J.;
Parkinson, Tanya;
Leatherbarrow, Robin J.;
Tate, Edward W.;
Holder, Anthony A.;
Smith, Deborah F.

Publication type:

Article

Antimicrobial profile of some novel keto esters: Synthesis, crystal structures and structure-activity relationship studies.

Published in:

Pakistan Journal of Pharmaceutical Sciences, 2016, v. 29, n. 1, p. 39

By:

Khan, Imtiaz;
Saeed, Aamer;
Arshad, Mohammad Ifzan;
White, Jonathan Michael

Publication type:

Article

Synthesis, anticancer activity and structure-activity relationship of some anticancer agents based on Cyclopenta (b) thiophene scaffold.

Published in:

Pakistan Journal of Pharmaceutical Sciences, 2014, v. 27, n. 4, p. 885

By:

Said, Mohamed;
Elshihawy, Hosam

Publication type:

Article

Anti-inflammatory, anti-bacterial activity and structure-activity relationships of substitutions on 4-thiazolidinone derivatives - Part-1.

Published in:

Pakistan Journal of Pharmaceutical Sciences, 2012, v. 25, n. 4, p. 731

By:

Naeem, Muhammad;
Chadhury, Muhammad Nawaz;
Amjad, Rana;
Rehaman, Salma;
Khan, Kahlida

Publication type:

Article

Effects of Amino Acid Deletion on the Antiplasmodial Activity of Angiotensin II.

Published in:

International Journal of Peptide Research & Therapeutics, 2014, v. 20, n. 4, p. 553, doi. 10.1007/s10989-014-9425-9

By:

Ferreira, Luiz;
Silva, Adriana;
Torres, Marcelo;
Pedron, Cibele;
Capurro, Margareth;
Alves, Flávio;
Miranda, Antonio;
Oliveira, Vani

Publication type:

Article

The basic antioxidant structure for flavonoid derivatives.

Published in:

Journal of Molecular Modeling, 2012, v. 18, n. 9, p. 4073, doi. 10.1007/s00894-012-1397-0

By:

Mendes, Anna;
Borges, Rosivaldo;
Neto, Antonio;
Macedo, Luiz;
Silva, Albérico

Publication type:

Article

Antifungal effect of 4-arylthiosemicarbazides against Candida species. Search for molecular basis of antifungal activity of thiosemicarbazide derivatives.

Published in:

Journal of Molecular Modeling, 2012, v. 18, n. 9, p. 4159, doi. 10.1007/s00894-012-1420-5

By:

Siwek, Agata;
Stefańska, Joanna;
Dzitko, Katarzyna;
Ruszczak, Artur

Publication type:

Article

Molecular simulation of a series of benzothiazole PI3Kα inhibitors: probing the relationship between structural features, anti-tumor potency and selectivity.

Published in:

Journal of Molecular Modeling, 2012, v. 18, n. 7, p. 2943, doi. 10.1007/s00894-011-1299-6

By:

Wang, Jinan;
Wang, Fangfang;
Xiao, Zhengtao;
Sheng, Guowen;
Li, Yan;
Wang, Yonghua

Publication type:

Article

Exploring the binding features of rimonabant analogues and acyclic CB<sub>1</sub> antagonists: docking studies and QSAR analysis.

Published in:

Journal of Molecular Modeling, 2008, v. 14, n. 12, p. 1131, doi. 10.1007/s00894-008-0356-2

By:

Elena Cichero;
Giulia Menozzi;
Andrea Spallarossa;
Luisa Mosti;
Paola Fossa

Publication type:

Article

Evaluation of Predictive Retention Factors for Phenolic Compounds with QSPR Equations.

Published in:

Journal of Liquid Chromatography & Related Technologies, 2004, v. 27, n. 4, p. 629, doi. 10.1081/JLC-120028253

By:

Lee, SeungKi;
Polyakova, Yulia;
Row, KyungHo

Publication type:

Article