Evaluation of the Inhibitory Effects of Bavachinin and Bavachin on Human Monoamine Oxidases A and B

Figure 7

Interaction models of bavachinin (BNN) and bavachin (BVN) in MAO isozymes active sites. Docking poses in (a) human MAO-A with BNN and 2Z5X ligand (a1), BNN alone (a2), or BVN alone (a3) and in (b) human MAO-B with BNN and 2XCG (b1), BNN alone (b2), or BVN alone (b3). The analogs were surrounded with the closest active site residues where the difference in their interactive behavior with both isozymes is illustrated. Molecular surfaces are highlighted in brown for hydrophobic zones and blue for polar aminoacids.

(a) hMAO-A docking

(b) hMAO-B docking