FIGURE 3.

The best poses of compounds 30–34 (30, red; 31, green; 32, orange; 33, yellow; 34, blue) docked with BuChE (A). Molecular docking models (B, D, F, H, J) and 2D ligand interaction diagrams (C, E, G, I, K) of BuChE inhibition at the catalytic pocket by compounds 30–34, respectively. Different interactions between compounds and amino acid residues in the catalytic site are designated by the following: thick light purple stick models represent compounds 30–34, green dotted lines represent hydrogen bonds, light green lines represent Van der Waals interactions, dark pink lines represent π–π and π–σ interactions, and light pink lines represent π–alkyl interactions.