Major depressive disorder (MDD) is a mental disorder characterized by pervasive and persistent low mood associated with lack of interest, pleasure and self-esteem. The major reason for the occurrence of MDD. Monoamine oxidases (MAO) are belongs to the class of enzymes involved in the oxidative deamination of biogenic amines such as the neurotransmitters dopamine, norepinephrine and serotonin. The MAO- A activity is predominant in the brain particularly in the pathogenesis of MDD.MAO-A expression is elevated in patients with major depressive episodes MDE secondary to MDD. Current treatment strategy for MDD is achieved through MAO-A inhibitor (MAOIs) but often patient suffered with side effects like hypotension, anxiety, dizziness, weight gain and impotence. In the present study phytoconstituents like arecoline, apigenin, curcumin, kaempferol, luteolin and quercetin was selected for virtual screening against the target MAO-A enzyme. Computational biology tools like docking will be helpful in optimizing the leads and its binding efficacy towards amino acid residue present in the target enzyme. The energy value of docking between the target and phytoconstituents under investigation is compared with standard drug brofaromine which is was a potent inhibitor of enzyme MAO-A. Results obtained from the study projects that all the selected lead shows MAO-A inhibition potential in which luteolin,kaempferol and quercetin shows significant binding similar to that of standard drug. It was concluded that phytoconstituents from traditional medicine with interesting biological properties and structural diversity, have often served as valuable lead drug candidate for the treatment of MDD replacing the chemically synthesized drugs.