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Hizbullah, Syed
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Computer Science & IT

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In Silico Molecular Docking Analysis of Limonene with The Fat Mass and Obesity-Associated Protein by Using Autodock Vina Ahmed, Muhammad Zeeshan; Hameed, Shahzeb; Ali, Mazhar; Hizbullah, Syed; Zaheer, Ammad
Scientific Journal of Informatics Vol 8, No 1 (2021): May 2021
Publisher : Universitas Negeri Semarang

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.15294/sji.v8i1.29051

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.
Co-Authors Ahmed, Muhammad Zeeshan Ali, Mazhar Hameed, Shahzeb Zaheer, Ammad