Title : Investigating the binding interactions of the anti-Alzheimer's drug donepezil with CYP3A4 and P-glycoprotein.

Pub. Date : 2015 Jan 15

PMID : 25499431






1 Functional Relationships(s)
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1 The molecular docking studies show that the 5,6-dimethoxyindan-1-one moiety of donepezil was oriented closer to the heme center in CYP3A4 whereas in the P-gp binding site, the protonated benzylpiperidine pharmacophore of donepezil played a major role in its binding ability. Heme cytochrome P450 family 3 subfamily A member 4 Homo sapiens