These are preliminary reports that have not been peer-reviewed. They should not be regarded as conclusive, guide clinical practice/health-related behavior, or be reported in news media as established information. For more information, please see our FAQs.
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.

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.


Email Address of Submitting Author


Amity University Uttar Pradesh



ORCID For Submitting Author


Declaration of Conflict of Interest

no conflict of interest