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An Overview of Coronaviruses_In Silico Approach to Decipher Anti SARS CoV 2 Natural Products.pdf (1.8 MB)

An Overview of Coronaviruses: In-Silico Approach to Decipher Anti-SARS-CoV-2 Natural Products

preprint
submitted on 09.08.2020, 18:46 and posted on 10.08.2020, 13:37 by Patil Shivprasad Suresh, Shiv Shankar Gupta, Anmol Sharma, Upendra Sharma
In current study, we have focused on the outline of different coronaviruses including COVID-19, along with potential therapeutic targets of SARC-CoV-2. Moreover, experimentally evident anti-coronavirus natural molecules were subjected for in silico screening against Mpro and RdRp of COVID-19, in order to predict effective cure agent for same.Docking analysis have revealed hit molecules namely tetra-O-galloyl-β-D-glucose (2) and juglanin (25) against main protease, in reference of N3 molecule (docking score = -5.95 Kcal/mol), while glycyrrhizin (1) and tetra-O-galloyl-β-D-glucose (2) are good against RdRp in reference of Remdesivir (docking score = -4.23 Kcal/mol). In-silico parameter revealed three lead compounds i.e. glycyrrhizin (1), tetra-O-galloyl-β-D-glucose (2) and juglanin (25) which can be seen as hopeful molecule for COVID-19 treatment in upcoming time. Overall review lesson is to develop a specific and effective drug molecule against the current crisis i.e. COVID-19 derived from natural source.


Funding

CSIR (MLP0154/MLP0159)

History

Email Address of Submitting Author

upendra@ihbt.res.in

Institution

CSIR-INSTITUTE OF HIMALAYAN BIORESOURCE TECHNOLOGY

Country

India

ORCID For Submitting Author

0000-0002-7693-8690

Declaration of Conflict of Interest

No conflict.

Exports

ChemRxiv

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