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SARS-CoV-2 Pocketome: Severe Acute Respiratory Syndrome Coronavirus 2, Pockets Identification for Antiviral & Antimicrobial Phytomolecules and Drug Repurposing

preprint
submitted on 21.06.2020 and posted on 23.06.2020 by Akhil Kumar, Ajit Kumar Shasany
According to WHO, the current Coronavirus disease situation is 8,506,107 confirmed and 455,231 death cases in approx 216 Countries, areas, or territories. For the treatment of Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) drug repurposing seems to be an effective strategy as it could shorten the time and reduce the cost compared to de novo drug discovery. For that, we need to identify target binding sites. Thus, we have reported for the first time structural druggability assessment for SARS-CoV-2 proteome a pan-druggability prediction based on the open-source pocket detection code fpocket and rank them on the basis of druggability score. We have identified in a total of 433 pockets on the SARS-CoV-2 proteome and characterized by physicochemical descriptors. In which, 47 pockets identified as druggable and 71 as potential drug-binding pockets.

History

Email Address of Submitting Author

ak.shasany@cimap.res.in

Institution

CSIR-Central Institute of Medicinal and Aromatic Plants

Country

India

ORCID For Submitting Author

0000-0002-4548-4040

Declaration of Conflict of Interest

The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper

Version Notes

version 01

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