Computational analysis of the interaction of limonene with the fat mass and obesity-associated protein

Abstract

This study aimed to predict the binding affinity, orientation, and physical interaction between limonene and fat mass and obesity-associated protein. The mechanism of limonene and protein association was explored by molecular docking, a bioinformatic tool. The results of association were compared with the reported results of the anti-obesity drug such as orlistat and with the flavonoids. AutoDock Vina tools were used for the molecular docking of limonene with fat mass and obesity-associated protein. PyMol and Discovery Studio Visualizer were used to visualize the results of this docking. The binding affinity of limonene was higher (Least negative G) than the orlistat and flavonoids such as Daidzein, Exemestane, Kaempherol, Letrozole, And Rutin. It is conducted in this study that the Limonene can alleviate obesity by making an interaction with the fat mass and obesity-associated protein. This inhibitory interaction was greater as compared to other reported phytochemicals and drugs.