The contribution of atom accessibility to site of metabolism models for cytochromes P450

Molecular Pharmaceutics

Volumn 10, Issue 4, 2013, Pages 1216-1223

  Rydberg, Patrik ^a   Rostkowski, Michal ^a   Gloriam, David E ^a   Olsen, Lars ^a  

^a UNIVERSITY OF COPENHAGEN   (Denmark)

Author keywords

circular fingerprints; cytochromes P450; site of metabolism; solvent accessible surface area

Indexed keywords

CYTOCHROME P450; CYTOCHROME P450 1A2; CYTOCHROME P450 2A6; CYTOCHROME P450 2B6; CYTOCHROME P450 2C19; CYTOCHROME P450 2C8; CYTOCHROME P450 2C9; CYTOCHROME P450 2D6; CYTOCHROME P450 2E1; CYTOCHROME P450 3A4; ISOPROTEIN; SOLVENT;

ARTICLE; CONTROLLED STUDY; METABOLISM; MOLECULAR MODEL; PREDICTION; PRIORITY JOURNAL;

BINDING SITES; CHEMISTRY, PHARMACEUTICAL; COMPUTER SIMULATION; CYTOCHROME P-450 ENZYME SYSTEM; DRUG DESIGN; HUMANS; ISOENZYMES; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; SOLVENTS; SURFACE PROPERTIES;

EID: 84875797401     PISSN: 15438384     EISSN: 15438392     Source Type: Journal    
DOI: 10.1021/mp3005116     Document Type: Article

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