QSAR studies of CYP2D6 inhibitor aryloxypropanolamines using 2D and 3D descriptors

Chemical Biology and Drug Design

Volumn 73, Issue 4, 2009, Pages 442-455

  Roy, Partha Pratim ^a   Roy, Kunal ^a  

^a JADAVPUR UNIVERSITY   (India)

Author keywords

CYP2D6; G PLS; GFA; K means cluster; MFA; MSA; QSAR

Indexed keywords

CYTOCHROME P450 2D6; CYTOCHROME P450 INHIBITOR; PROPANOLAMINE DERIVATIVE;

ARTICLE; CHEMOMETRIC ANALYSIS; CONTROLLED STUDY; DRUG CONFORMATION; DRUG STRUCTURE; ENZYME ACTIVE SITE; ENZYME ACTIVITY; ENZYME INHIBITION; INHIBITION KINETICS; MOLECULAR MODEL; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; THERMODYNAMICS;

CATALYTIC DOMAIN; COMPUTER SIMULATION; CYTOCHROME P-450 CYP2D6; HUMANS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PROPANOLAMINES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; THERMODYNAMICS;

EID: 61849085398     PISSN: 17470277     EISSN: None     Source Type: Journal    
DOI: 10.1111/j.1747-0285.2009.00791.x     Document Type: Article

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