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Genetic algorithm-based docking of potent inhibitors against SARS-CoV-2 main protease a comparison between natural products and synthetic drugs..pdf (1.07 MB)

Genetic Algorithm-Based Docking of Potent Inhibitors Against SARS-CoV-2 Main Protease: A Comparison Between Natural Products and Synthetic Drugs.

preprint
submitted on 22.06.2020, 06:37 and posted on 24.06.2020, 09:59 by Pragadeeshwara Rao R, Tinku Basu

The Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has caused coronavirus disease-2019 (COVID-19) pandemic. Despite the intensive research currently, there are no therapeutics and vaccines available. As the main protease (MPro) plays a vital role in SARS-CoV-2, it is an attractive drug target. Herein we report, potential inhibitors form natural products and synthetic drugs against MPro. In detail, we studied the interaction of inhibitors (Curcumin, Theaflavin, Deserpidine, Betulinic acid, Sinigrin, Emodin, Leptodactylone, Synthetic drugs, Lopinavir, Ritonavir, Indinavir, Amprenavir, Darunavir, Nelfinavir, Remdesivir, Saquinavir, Sivelestat, Galidesivir, and Favipiravir) with the catalytic site of MPro. Lastly, ADME (Absorption, Distribution, Metabolism, and Excretion) properties of Natural products and synthetic drugs are explored. We identified eight potential inhibitors against MPro.

History

Email Address of Submitting Author

tbasu@amity.edu

Institution

Amity University Uttar Pradesh

Country

India

ORCID For Submitting Author

0000-0003-0445-4029

Declaration of Conflict of Interest

no conflict of interest

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