Figure 4.

Binding molecular interactions for: (A) compound 4af (green) within the acetylcholinesterase (AChE) binding site and (B) compound 4ae (green) within the butyrylcholinesterase (BChE) binding site. The protein residues that establish interactions with the inhibitors are shown in white sticks and the reference ligands (huprine and tacrine) are shown in yellow and red lines representation respectively. AChE and BChE are shown in cartoon representation. Black dotted lines represent π‐π stacking interaction between 4af/4ae and AChE/BChE (distances are shown in Å). Cyan dotted lines represent π‐π stacking interaction between references ligands huprine/tacrine and AChE/BChE. Orange dotted line represents hydrophobic interaction between 4ae and BChE.