Fig. 8.

Computational modeling experiment to predict binding sites of apigenin and clorgyline on monoamine oxidase A enzyme. (A) Depicts the binding mode of investigational API (blue) and reference drug, clorgyline (green) in the binding cavity of MAO A receptor sequel to molecular docking. Both compounds are shown as ball and stick surface mesh representations. (B & C) depicts important binding site residues for API-bound (yellow) and clorgyline-bound (purple) complexes. (D & C) shows important intermolecular interactions in the API-bound (D) clorgyline-bound (E) and complexes. (For interpretation of the references to color in this figure legend, the reader is referred to the Web version of this article.)