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. 2017 Nov 3;33(1):37–57. doi: 10.1080/14756366.2017.1389920

Figure 5.

Figure 5.

Superimposed MAO-A inhibitors docked into the binding pocket of MAO-A. FAD is displayed in cyan. Selected MAO-A residues are labelled in black. (A) Shared binding orientation of compounds 4, 5, 6, 8, 9, 10, 12, 13, and 15 are displayed in dark blue, dark brown, bright green, red, dark orange, light blue, dark pink, dark green, and grey, respectively. (B) Shared binding orientation of compounds 7, 11, 14, 16, 17, 18, 19, 20, and 21 are displayed in dark purple, light blue, light brown, yellow, maroon, light orange, black, light purple, and light pink, respectively. (C) Binding orientation of compound 21 (yellow) within the MAO-A binding pocket showing π–π (orange lines) and hydrogen bonding (green dashed lines) interactions. (D) Superimposed binding orientation of compound 21 (yellow) within the MAO-A binding pocket originally docked with harmine (dark pink).