Comparative QSAR studies of CYP1A2 inhibitor flavonoids using 2D and 3D descriptors

Chemical Biology and Drug Design

Volumn 72, Issue 5, 2008, Pages 370-382

  Roy, Kunal ^a   Roy, Partha Pratim ^a  

^a JADAVPUR UNIVERSITY   (India)

Author keywords

2D and 3D descriptors; CYP1A2; Genetic function approximation; Genetic partial least squares; Partial least square; QSAR

Indexed keywords

BENZOPYRAN DERIVATIVE; CHROMONE; CYTOCHROME P450 1A2; FLAVANOID; HYDROXYL GROUP; PYRONE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CHEMOMETRIC ANALYSIS; DRUG STRUCTURE; ENZYME INHIBITION; MOLECULAR MODEL; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; THERMODYNAMICS;

ALGORITHMS; CYTOCHROME P-450 CYP1A2; DRUG DESIGN; ENZYME INHIBITORS; FLAVONOIDS; LINEAR MODELS; MODELS, MOLECULAR; PROTEIN STRUCTURE, SECONDARY; PROTEIN STRUCTURE, TERTIARY; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 54249100909     PISSN: 17470277     EISSN: None     Source Type: Journal    
DOI: 10.1111/j.1747-0285.2008.00717.x     Document Type: Article

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