In silico description of differential enantioselectivity in methoxychlor O-demethylation by CYP2C enzymes

Biochimica et Biophysica Acta - General Subjects

Volumn 1780, Issue 9, 2008, Pages 1070-1079

  Bikádi, Zsolt ^a   Hazai, Eszter ^a  

^a Virtua Drug Ltd   (Hungary)

Author keywords

CYP2C; Heme protein; Homology model; Molecular docking; Molecular dynamic; Stereoselective metabolism

Indexed keywords

CYTOCHROME P450 2C; CYTOCHROME P450 2C19; CYTOCHROME P450 2C3; CYTOCHROME P450 2C5; CYTOCHROME P450 2C9; METHOXYCHLOR; PHENOL DERIVATIVE;

ARTICLE; BIOTRANSFORMATION; DEMETHYLATION; ENANTIOMER; ENANTIOSELECTIVITY; MATHEMATICAL COMPUTING; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR MODEL; PRIORITY JOURNAL; PROTEIN FAMILY; SIMULATION;

AMINO ACID SEQUENCE; ARYL HYDROCARBON HYDROXYLASES; BINDING SITES; COMPUTATIONAL BIOLOGY; COMPUTER SIMULATION; CYTOCHROME P-450 ENZYME SYSTEM; HEME; HUMANS; METHOXYCHLOR; METHYLATION; MODELS, MOLECULAR; MOLECULAR SEQUENCE DATA; PHARMACEUTICAL PREPARATIONS; PROTEIN STRUCTURE, SECONDARY; SEQUENCE ALIGNMENT; STEREOISOMERISM; STRUCTURAL HOMOLOGY, PROTEIN; THERMODYNAMICS;

EID: 47049125463     PISSN: 03044165     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bbagen.2008.06.001     Document Type: Article

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