In Silico Investigation of Novel Compounds as Inhibitors of Acetylcholinesterase Enzyme for the Treatment of Alzheimer’s Diseases

Figure 5

Ligand interaction of CHEMBL1240685 in the binding pocket of ACHE. (a) Ligand occupied the whole binding pocket, and the interaction was favourable. (b) The ligand made interactions with ASP72 and ASN 85 in the catalytic site region, ligand interactions with PHE 330 around the choline binding site region, and ligand interactions with TYR-334 and TRP 279 possibly around the acyl pocket. Finally, with SER 286 and ASP 285 around the peripheral anionic site.

(a)

(b)

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