Title : Structural modifications of 4-aryl-4-oxo-2-aminylbutanamides and their acetyl- and butyrylcholinesterase inhibitory activity. Investigation of AChE-ligand interactions by docking calculations and molecular dynamics simulations.

Pub. Date : 2014 Jun 23

PMID : 24836068






1 Functional Relationships(s)
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1 Thorough docking calculations of the seven most potent AChE inhibitors from the set, showed that the hydrogen bond can be formed between amide -NH- moiety of compounds and -OH group of Tyr 124. Tyrosine acetylcholinesterase (Cartwright blood group) Homo sapiens