Molecular docking identification for the efficacy of natural limonoids against COVID-19 virus main protease

نویسندگان

چکیده

COVID-19 pandemic is the biggest public health problem of century so far.The main protease (Mpro) one enzymes studied as a pharmacological target. In this context, present work aimed to perform virtual screening possible inhibitors against enzyme Mpro, having limonoids object research supposed inhibitors. Molecular docking simulations indicated that have an affinity complex with M-pro.However, Limonine and Nimoliciol showed nonspecific low interactions. conclusion, Limonoids are substances natural origin can be used in study new tools designed combat understand COVID-19.

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ژورنال

عنوان ژورنال: Journal of the Indian Chemical Society

سال: 2021

ISSN: ['0019-4522', '2667-2847']

DOI: https://doi.org/10.1016/j.jics.2021.100157