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

preprint
submitted on 09.08.2020 and posted on 10.08.2020 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.

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