Title : Probing the origins of human acetylcholinesterase inhibition via QSAR modeling and molecular docking.

Pub. Date : 2016

PMID : 27602288






1 Functional Relationships(s)
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1 Molecular docking revealed that compounds 13, 5 and 28 exhibited the lowest binding energies of -12.2, -12.0 and -12.0 kcal/mol, respectively, against human AChE, which is modulated by hydrogen bonding, pi-pi stacking and hydrophobic interaction inside the binding pocket. Hydrogen acetylcholinesterase (Cartwright blood group) Homo sapiens