The challenges of in silico contributions to drug metabolism in lead optimization

Expert Opinion on Drug Metabolism and Toxicology

Volumn 6, Issue 7, 2010, Pages 851-861

  Vaz, Roy J ^a   Zamora, Ismael ^b,c   Li, Yi ^a   Reiling, Stephan ^a   Shen, Jian ^a   Cruciani, Gabriele ^d  

^a SANOFI   (France)

^b Lead Molecular Design SL   (Spain)

^c UNIVERSITAT POMPEU FABRA   (Spain)

^d UNIVERSITY OF PERUGIA   (Italy)

Author keywords

computational; DMPK; in silico; metabolism

Indexed keywords

CYTOCHROME P450 3A4; ERYTHROMYCIN; FLUOROBENZENE; INDOMETACIN; KETOCONAZOLE; MIDAZOLAM;

AEROBIC METABOLISM; COMPUTER ANALYSIS; COMPUTER MODEL; COMPUTER PREDICTION; COMPUTER PROGRAM; COMPUTER SIMULATION; CRYSTAL STRUCTURE; DRUG METABOLISM; ENZYME STRUCTURE; LIQUID CHROMATOGRAPHY; MASS SPECTROMETRY; METABOLITE; MOLECULAR DOCKING; PROCESS OPTIMIZATION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; QUANTUM MECHANICS; REVIEW;

ANIMALS; CYTOCHROME P-450 CYP3A; DRUG DISCOVERY; DRUG EVALUATION, PRECLINICAL; HUMANS; PHARMACEUTICAL PREPARATIONS;

EID: 77953929952     PISSN: 17425255     EISSN: None     Source Type: Journal    
DOI: 10.1517/17425255.2010.499123     Document Type: Review

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