Molecular Docking Analysis of Natural Compounds Against Serotonin Transporter (SERT)

Abstract

Depression is one of the leading threats to the global health characterized by low mood and sadness and even loss in interest in daily routine activities. For treating depression, inhibition of serotonin transporter (SERT) can be considered as an effective way by the inhibitory ligands. Some of the commercially used drugs such as paroxetine, fluoxetine and sertraline and many more work on the similar principle of inhibiting the SERT receptor. There are various natural compounds which have been reported to show antidepressant effect with minimal side effects. In the present study, certain natural compounds and phytochemicals have been explored through the method of computer aided technique such as molecular docking. Docking was performed between the selected list of natural compounds and SERT and also with a standard drug paroxetine. Out of the compounds taken in the study, 6 compounds showed binding energy comparable to standard drug paroxetine and amongst them Withaferin A showed the highest binding affinity score (-8.74kcal/ mol). Results predict that these compounds can be equivalently used as chemically synthesized in form of certain drug formulation against the treatment of depression after further experimental studies.