Dual Binding Site and Selective Acetylcholinesterase Inhibitors Derived from Integrated Pharmacophore Models and Sequential Virtual Screening
Figure 11
The best HYPOREFINE model Hypo1_A mapping with one of the most active VS compound Zn1 (IC50 = 17.76 nM) (a). Hypo1_A mapping with the second most active VS compound Zn2 (IC50 = 22.56 nM) (b). 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.
