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In silico study on Spice-derived antiviral phytochemicals against Sars-Cov-2 .pdf (2.52 MB)
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In Silico Study on Spice-Derived Antiviral Phytochemicals Against SARS-CoV-2 TMPRSS2 Target

preprint
submitted on 03.08.2020 and posted on 04.08.2020 by Pradeep Kumar Yadav, Amit Jaiswal, Rajiv Kumar Singh
We predicted the structure of TMPRSS2 (transmembrane protease serine 2), a host protein that truncates spike protein of SARS-CoV-2. Then we docked 18 anti-viral compounds found in Indian spices against the catalytic domain of TMPRSS2. We then performed rigorous molecular simulation dynamics simulation to screen the best natural phytochemical which could act as a potential inhibitor of TMPRSS2 activation.

History

Email Address of Submitting Author

amitjai20@gmail.com

Institution

Rajiv Gandhi University

Country

India

ORCID For Submitting Author

0000-0002-4778-5955

Declaration of Conflict of Interest

No conflict of interest

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