A model for predicting likely sites of CYP3A4-mediated metabolism on drug-like molecules

Journal of Medicinal Chemistry

Volumn 46, Issue 8, 2003, Pages 1330-1336

  Singh, Suresh B ^a,b   Shen, Lucy Q ^a,c   Walker, Matthew J ^a   Sheridan, Robert P ^a  

^a MERCK RESEARCH LABORATORIES   (United States)

^b RY50SW 100 ^*  (United States)

^c HARVARD MEDICAL SCHOOL   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CYTOCHROME P450 3A4; DRUG; HYDROGEN;

ARTICLE; BINDING SITE; CALCULATION; CHEMICAL REACTION; DRUG METABOLISM; ENERGY; ENZYME ACTIVE SITE; ENZYME BINDING; ENZYME MECHANISM; ENZYME SUBSTRATE; HYDROXYLATION; MATHEMATICAL ANALYSIS; MODEL;

BINDING SITES; CYTOCHROME P-450 ENZYME SYSTEM; HYDROGEN; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PHARMACEUTICAL PREPARATIONS; PROTEIN BINDING; QUANTUM THEORY; THERMODYNAMICS;

EID: 0037431382     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm020400s     Document Type: Article

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