Figure 3.

Best docking pose of compounds: (a) 22 and (b) 30 into hBChE active site shown as wire representation. The most relevant interacting residues are displayed as thin light green tubes. Compounds 22 and 30 are illustrated in orange and pink carbon ball and stick representation, respectively. Hydrogen bonds, π–π interactions, and π–cation contacts are, respectively, represented by yellow, blue, and green dotted lines.