Improvement of site of metabolism predictions for CYP3A4 by using discriminant analysis of compound preference of CYP3A4 x-ray structural conformers and subsequent docking

QSAR and Combinatorial Science

Volumn 28, Issue 8, 2009, Pages 865-868

  Prusis, Peteris ^a   Afzelius, Lovisa ^a  

^a ASTRAZENECA R AND D   (Sweden)

Author keywords

Bioinformatics; Computational chemistry; CYP3A4; Cytochrome; Docking; Metabolism site; P450

Indexed keywords

BIOCHEMISTRY; DISCRIMINANT ANALYSIS; ENZYMES; FORECASTING; METABOLISM; PHYSIOLOGY;

COMPOUND STRUCTURES; CYP3A4; CYTOCHROME P450 ENZYMES; DOCKING; ISOFORMS; METABOLISM SITE; OXIDATION REACTIONS; REACTION CATALYZED; STRUCTURAL CONFORMER; SUBSTRATE SPECIFICITY;

COMPUTATIONAL CHEMISTRY;

CYTOCHROME P450 3A4;

CONFERENCE PAPER; CRYSTAL STRUCTURE; DISCRIMINANT ANALYSIS; ENZYME METABOLISM; ENZYME STRUCTURE; MOLECULAR DOCKING; PREDICTION; PRIORITY JOURNAL; STATISTICAL MODEL; X RAY ANALYSIS;

EID: 70350362083     PISSN: 1611020X     EISSN: 16110218     Source Type: Journal    
DOI: 10.1002/qsar.200810182     Document Type: Conference Paper

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