Lipophilicity relationships in inhibitors of CYP2C9 and CYP2C19 enzymes |
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Authors: | Lewis David F V Lake Brian G Ito Yuko Dickins Maurice |
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Institution: | School of Biomedical and Molecular Sciences University of Surrey, Guildford, Surrey, GU2 XH, UK. d.lewis@surrey.ac.uk |
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Abstract: | Quantitative structure-activity relationships (QSARs) within a series of cytochrome P450 2C9 (CYP2C9) and cytochrome P450 2C19 (CYP2C19) inhibitors are reported. In particular, it is noted that compound lipophilicity, in the form of log P values (where P is the octanol/water partition coefficient), is an important factor in explaining the variation in inhibitory potency within these series of compounds, many of which also act as substrates for the respective enzymes. In addition, there is a role for hydrogen bonding and pi-pi stacking interactions within the P450 active site which represent secondary factors in the binding processes of these compounds. |
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