General Article | Animal Biotechnology

In Silico Evaluation of Myricetin, Fisetin, and Genistein as Glycoprotein Inhibitors: Hope for the Discovery of Anti-Nipah Virus Agents

Hardeep Singh Tuli, Khan Sharun, Kuldeep Dhama, Poonam Bansal, GurpreetKaur Bhatia, Manoj Kumar and Zahoor Abbas

Department of Biotechnology, Maharishi Markandeshwar (Deemed to be University), Mullana, Ambala 133207, Haryana, India

Published in the Indian Veterinary Journal January 2022 : 99 (1) - pages 24 to 30
(Received: , Accepted: )

Abstract

Flavonoids are considered to be an important part of plant-based bioactive metabolites with significant medicinal properties. Currently, there are no vaccines available for Nipah virus (NiV) therefore alternative therapeutic methods can play an important role. The present investigation was carried out to analyze possible molecular interactions of Myricetin, Fisetin, and Genistein with glycoprotein (PDB ID: 3D11) of the NiV. Pyrx molecular docking software was utilized to analyze binding affinities between selected phytochemicals and targeted protein. Biovia discovery studio visualizer was utilized to visualize the molecular docking results. Results of current investigations revealed that selected phytochemicals have interacted with targeted glycoprotein (PDB ID: 3D11) receptor with energy minimization in the range of -6.1 to -8.5 Kcal/mol. In conclusion, present study investigated the possible molecular interactions of selected phytochemicalsagainst NiV glycoprotein to design novel therapeutic drugs.

Key Words: Molecular docking, Myricetin, Fisetin, and Genisteinand Glycoprotein

Main Article

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