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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 and posted on 24.07.2020 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