Document Type : Original Research Article


1 Isfahan Pharmacy Students' Research Committee, School of Pharmacy and Pharmaceutical Sciences, Isfahan University of Medical Sciences, Isfahan, Iran

2 Biosensor Research Center, School of Advanced Technologies in Medicine, Isfahan University of Medical Sciences, Isfahan, Iran



The in silico molecular docking (MD) simulations have been performed to examine the efficacy of three flavonoid ligands including chrysin, apigenin and luteolin on monoamine oxidase–A (MAO–A) enzyme inhibitions in comparison with the reference moclobemide inhibitor. All the obtained quantitative and qualitative results indicated that the flavonoid ligands could be proposed as possible inhibitors for MAO–A enzyme activity. The most important note is that the ligands could interact with the coenzyme of MAO–A, which is dominant for enzyme inhibition. The results indicated that luteolin could be proposed as the best choice of MAO–A enzyme inhibitor among the investigated ligands.

Graphical Abstract

Flavonoid Derivatives for Monoamine Oxidase–A Inhibition