Title : Quantum mechanics/molecular mechanics modeling of regioselectivity of drug metabolism in cytochrome P450 2C9.

Pub. Date : 2013 May 29

PMID : 23641937






1 Functional Relationships(s)
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1 The carboxylate of diclofenac interacts strongly with the CYP2C9 Arg108 side chain in the transition state for formation of the observed metabolite-but not in that for the competing pathway. carboxylate cytochrome P450 family 2 subfamily C member 9 Homo sapiens