An evaluation of ondansetron binding interactions with human cytochrome P450 enzymes CYP3A4 and CYP2D6.
Drug Metab Lett
; 4(1): 25-30, 2010 Jan.
Article
em En
| MEDLINE
| ID: mdl-20201779
ABSTRACT
The results of an evaluation study of ondansetron binding to human cytochromes P450 CYP3A4 and CYP2D6 is reported. The methodology includes NMR spectroscopic measurements of substrate to heme iron distances together with molecular modelling of the enzyme-substrate interactions. It is shown that there is a generally good agreement between the experimental and calculated binding affinities for ondansetron towards CYP2D6 and CYP3A4 enzymes, based on interactive docking studies. Moreover, the modelled binding orientations for ondansetron in CYP2D6 and CYP3A4 are largely consistent with the NMR data and with the known routes for P450-mediated metabolism of this compound.
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Base de dados:
MEDLINE
Assunto principal:
Ondansetron
/
Citocromo P-450 CYP2D6
/
Citocromo P-450 CYP3A
Limite:
Humans
Idioma:
En
Revista:
Drug Metab Lett
Assunto da revista:
FARMACOLOGIA
/
METABOLISMO
Ano de publicação:
2010
Tipo de documento:
Article
País de afiliação:
Reino Unido