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An evaluation of ondansetron binding interactions with human cytochrome P450 enzymes CYP3A4 and CYP2D6

Lewis, DFV, Ito, Y, Eddershaw, PJ, Dickins, M and Goldfarb, PS (2010) An evaluation of ondansetron binding interactions with human cytochrome P450 enzymes CYP3A4 and CYP2D6 Drug Metabolism Letters, 4 (1). pp. 25-30.

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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. © 2010 Bentham Science Publishers Ltd.

Item Type: Article
Authors :
NameEmailORCID
Lewis, DFVd.lewis@surrey.ac.ukUNSPECIFIED
Ito, YUNSPECIFIEDUNSPECIFIED
Eddershaw, PJUNSPECIFIEDUNSPECIFIED
Dickins, MUNSPECIFIEDUNSPECIFIED
Goldfarb, PSUNSPECIFIEDUNSPECIFIED
Date : 25 June 2010
Identification Number : https://doi.org/10.2174/187231210790980408
Depositing User : Symplectic Elements
Date Deposited : 17 May 2017 09:34
Last Modified : 17 May 2017 09:34
URI: http://epubs.surrey.ac.uk/id/eprint/824284

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