title: Metabolism of coumarin by human P450s: a molecular modelling study.
abstract: The oxidative metabolism of coumarin via several human cytochrome P450 (CYP) enzymes from families CYP1, CYP2 and CYP3 is rationalized in terms of molecular modelling studies carried out on the key interactions with various amino acid residues in the relevant active sites. The findings from modelling by homology with the CYP2C5 crystallographic template are in agreement with the known metabolism of coumarin in human P450s from the CYP1, CYP2 and CYP3 families, which has been published recently, and with independently reported information from site-directed mutagenesis studies.
authors.affiliation: School of Biomedical and Molecular Sciences, University of Surrey, Stag Hill, Guildford, Surrey GU2 7XH, UK. d.lewis@surrey.ac.uk
authors.forename: David F V
authors.initials: DF
authors.lastname: Lewis
authors.forename: Yuko
authors.initials: Y
authors.lastname: Ito
authors.forename: Brian G
authors.initials: BG
authors.lastname: Lake
mesh_terms: D000595:Amino Acid Sequence; D003374:Coumarins / Q000378:metabolism*; D003577:Cytochrome P-450 Enzyme System / Q000737:chemistry / Q000378:metabolism*; D006801:Humans; D008958:Models, Molecular; D016415:Sequence Alignment; D017386:Sequence Homology, Amino Acid
chemical_list: D003374:Coumarins; D003577:Cytochrome P-450 Enzyme System; C030123:coumarin