In Silico Molecular Docking Analysis of Limonene with The Fat Mass and Obesity-Associated Protein by Using Autodock Vina
(1) School of Biochemistry and Biotechnology, University of the Punjab, Quaid-i-Azam campus, Lahore, 54590, Punjab, Pakistan
(2) School of Biochemistry and Biotechnology, University of the Punjab, Quaid-i-Azam campus, Lahore, 54590, Punjab, Pakistan
(3) Department of Biochemistry, Bahauddin Zakariya University, Multan, 60800, Punjab, Pakistan.
(4) School of Biochemistry and Biotechnology, University of the Punjab, Pakistan
(5) School of Biochemistry and Biotechnology, University of the Punjab, Quaid-i-Azam campus, Lahore, 54590, Punjab, Pakistan
Abstract
Purpose: This study aimed to predict the binding affinity, orientation, and physical interaction between limonene and fat mass and obesity-associated protein. Methods: The mechanism of limonene and protein association was explored by molecular docking, a bioinformatic tool. The association results 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 was used to visualize the results of this docking. Result: The binding affinity of limonene was higher (Least negative G) than the orlistat and flavonoids such as Daidzein, Exemestane, Kaempherol, Letrozole, And Rutin. Novelty: In this study, the limonene can alleviate obesity by interacting with the fat mass and obesity-associated protein. This inhibitory interaction was more significant as compared to other reported phytochemicals and drugs.
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