Combining in silico protein stability calculations with structure-function relationships to explore the effect of polymorphic variation on cytochrome P450 drug metabolism.

Abstract excerpt

We carried out an in silico structural analysis of 348 non-synonymous single nucleotide polymorphisms, found across nine of the major human drug metabolising cytochrome P450 isoforms, to determine the effects of mutations on enzyme structure and function. Previous functional studies in our group have delineated regions of the cytochrome P450 structure important for substrate recognition, substrate and product...

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