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Finding Potent Inhibitors Against SARS-CoV-2 Main Protease Through Virtual Screening, ADMET, and Molecular Dynamic Simulation Studies

preprint
submitted on 23.07.2020, 19:04 and posted on 24.07.2020, 09:52 by Rajarshi Roy, Md Fulbabu Sk, Nisha Amarnath Jonniya, Sayan Poddar, Parimal Kar
We have performed vitual screening of 1000 ligands and identified 9 compounds that can potentially inhibit SARS-CoV-2 3CLpro. This docking study is further complemented by the MD/MMGBSA study.

History

Email Address of Submitting Author

parimal@iiti.ac.in

Institution

Indian Institute of Technology Indore

Country

India

ORCID For Submitting Author

0000-0001-8451-9739

Declaration of Conflict of Interest

The authors declare no potential conflict of interest.

Version Notes

initial draft

Exports