Dual Binding Site and Selective Acetylcholinesterase Inhibitors Derived from Integrated Pharmacophore Models and Sequential Virtual Screening
Figure 3
Pharmacophore model of AChEIs generated by HYPOREFINE. (a) The best HYPOREFINE model Hypo1_A. (b) Hypo1_A mapping with one of the most active compound 1 (IC50 = 0.3 nM). Pharmacophore features are color-coded with light-blue for hydrophobic-aromatic feature, orange for ring aromatic feature, magenta for hydrogen-bond donor, and grey for excluded volumes.