Identification of novel peroxisome proliferator-activated receptor-gamma (PPARγ) agonists using molecular modeling method

Journal of Computer-Aided Molecular Design

Volumn 28, Issue 11, 2014, Pages 1143-1151

  Gee, Veronica M W ^a   Wong, Fiona S L ^a,c   Ramachandran, Lalitha ^b   Sethi, Gautam ^b,c   Kumar, Alan Prem ^b,c,d,e,f   Yap, Chun Wei ^a  

^a NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

^b NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

^c NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

^d CURTIN UNIVERSITY   (Australia)

^e UNIVERSITY OF NORTH TEXAS   (United States)

^f Singapore   (Singapore)

Author keywords

Docking; PPAR ; QSAR

Indexed keywords

COMPUTATIONAL CHEMISTRY; DIAGNOSIS; DIGITAL LIBRARIES; LIBRARIES; MOLECULAR GRAPHICS; ZINC;

DISEASE STATE; DOCKING; DRUG DISCOVERY; GLUCOSE HOMEOSTASIS; LIPID HOMEOSTASIS; MODEL METHOD; PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR; PPARΓ; QSAR; THIAZOLIDINEDIONES;

CYTOLOGY;

PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA; PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA AGONIST; 2,4 THIAZOLIDINEDIONE DERIVATIVE; LIGAND; PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR; PROTEIN BINDING;

ARTICLE; BINDING AFFINITY; COMPETITIVE BINDING ASSAY; CONCENTRATION RESPONSE; CONTROLLED STUDY; DRUG BINDING SITE; DRUG RECEPTOR BINDING; IN VITRO STUDY; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR MODEL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RECEPTOR BINDING ASSAY; AGONISTS; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; DIABETES MELLITUS, TYPE 2; DRUG DEVELOPMENT; HUMAN; PATHOLOGY;

BINDING SITES; DIABETES MELLITUS, TYPE 2; DRUG DISCOVERY; HUMANS; LIGANDS; MODELS, MOLECULAR; MOLECULAR DOCKING SIMULATION; PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS; PPAR GAMMA; PROTEIN BINDING; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; THIAZOLIDINEDIONES;

EID: 84912109426     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-014-9791-6     Document Type: Article

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