Title : Computational Investigation of Ligand Binding to the Peripheral Site in CYP3A4: Conformational Dynamics and Inhibitor Discovery.

Pub. Date : 2017 Mar 27

PMID : 28221037






1 Functional Relationships(s)
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1 Our results revealed that the binding mode of progesterone (PGS), a substrate of CYP3A4, in the crystal structure was not stable and underwent a significant conformational change. Progesterone cytochrome P450 family 3 subfamily A member 4 Homo sapiens