Comparison of methods for the prediction of the metabolic sites for CYP3A4-mediated metabolic reactions

Drug Metabolism and Disposition

Volumn 34, Issue 6, 2006, Pages 976-983

  Zhou, Diansong ^a,b   Afzelius, Lovisa ^c   Grimm, Scott W ^a   Andersson, Tommy B ^c,d   Zauhar, Randy J ^b   Zamora, Ismael ^e,f  

^a ASTRAZENECA   (United Kingdom)

^b UNIVERSITY OF THE SCIENCES   (United States)

^c ASTRAZENECA R AND D   (Sweden)

^d KAROLINSKA INSTITUTE   (Sweden)

^e Lead Molecular Design   (Spain)

^f INST MUNIC D INVESTIGACIO MEDICA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

CYTOCHROME P450 3A4; DOCKING PROTEIN; LIGAND;

ARTICLE; COMPUTER PROGRAM; CRYSTAL STRUCTURE; ENZYME METABOLISM; ENZYME SUBSTRATE; FINGER DERMATOGLYPHICS; INTERMETHOD COMPARISON; METABOLITE; MOLECULAR INTERACTION; PHARMACOPHORE; PREDICTIVE VALIDITY; PRINCIPAL COMPONENT ANALYSIS; PRIORITY JOURNAL; SCORING SYSTEM; STRUCTURAL HOMOLOGY;

BINDING SITES; CATALYTIC DOMAIN; COMPUTATIONAL BIOLOGY; CRYSTALLOGRAPHY; CYTOCHROME P-450 ENZYME SYSTEM; DRUG DESIGN; FORECASTING; MODELS, MOLECULAR; PHARMACEUTICAL PREPARATIONS; PRINCIPAL COMPONENT ANALYSIS; PROTEIN CONFORMATION; WATER;

EID: 33646764551     PISSN: 00909556     EISSN: 1521009X     Source Type: Journal    
DOI: 10.1124/dmd.105.008631     Document Type: Article

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