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. 2021 Feb 26;7(2):e06367. doi: 10.1016/j.heliyon.2021.e06367

Figure 2.

Figure 2

Interaction of coumaric acid with AChE and BChE crystal structures (Surface and ball and stick representation of the docking pose in the active site of AChE and BChE (1 ACL, 4BOP), showing the highly ranked pose for the active compound, p-coumaric acid, shown as green. The inhibitor predicted to bind in the active site in the space close to the water molecule. Residue, in stick representation, that forming the active site of the enzyme are labelled). (a). 2D diagram of ligand and AChE protein residues in contact. (b). Docked ligand in the active binding pocket of AChE (c). 2D diagram of ligand and BChE protein residues in contact. (d). Docked ligand in the active binding pocket of BChE.