Integrated virtual screening for the identification of novel and selective peroxisome proliferator-activated receptor (PPAR) scaffolds

Journal of Medicinal Chemistry

Volumn 55, Issue 11, 2012, Pages 4978-4989

  Nevin, Daniel K ^a   Peters, Martin B ^b   Carta, Giorgio ^a   Fayne, Darren ^a   Lloyd, David G ^a  

^a TRINITY COLLEGE DUBLIN   (Ireland)

^b NATIONAL UNIVERSITY OF IRELAND   (Ireland)

Author keywords

[No Author keywords available]

Indexed keywords

2,4 THIAZOLIDINEDIONE DERIVATIVE; 3 [(4 BROMOPHENOXY)METHYL] N (4 NITRO 1H PYRAZOL 1 YL)BENZAMIDE; 5 [4 (BENZYLOXY) 3 CHLOROBENZYLIDENE]DIHYDRO 2 THIOXOPYRIMIDINE 4,6 (1H,5H)DIONE; ETHYL 2 [3 HYDROXY 5 (5 METHYL 2 FURYL) 2 OXO 4 (2 THIENYLCARBONYL) 2,5 DIHYDRO 1H PYRROL 1 YL] 4 METHYL 1,3 THIAZOLE 5 CARBOXYLATE; MDG 548; MDG 559; MDG 582; PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA AGONIST; ROSIGLITAZONE; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; CONTROLLED STUDY; DRUG SCREENING; DRUG STRUCTURE; FLUORESCENCE POLARIZATION; FLUORESCENCE RESONANCE ENERGY TRANSFER; HYDROGEN BOND; MOLECULAR DOCKING; PHARMACOPHORE; PHYSICAL CHEMISTRY; PROTEIN PROTEIN INTERACTION;

BENZAMIDES; BINDING, COMPETITIVE; DATABASES, FACTUAL; FLUORESCENCE POLARIZATION; FLUORESCENCE RESONANCE ENERGY TRANSFER; HEK293 CELLS; HUMANS; MODELS, MOLECULAR; PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS; PPAR ALPHA; PPAR DELTA; PPAR GAMMA; PROTEIN CONFORMATION; PYRAZOLES; PYRROLIDINONES; STRUCTURE-ACTIVITY RELATIONSHIP; THIAZOLES; THIOBARBITURATES;

EID: 84862297586     PISSN: 00222623     EISSN: 15204804     Source Type: Journal    
DOI: 10.1021/jm300068n     Document Type: Article

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