ChemRxiv
These are preliminary reports that have not been peer-reviewed. They should not be regarded as conclusive, guide clinical practice/health-related behavior, or be reported in news media as established information. For more information, please see our FAQs.
ChemRxiv.pdf (1.86 MB)
0/0

Computational Guided Drug Repurposing for Targeting 2'-O-Ribose Methyltransferase of SARS-CoV-2

preprint
submitted on 10.04.2020 and posted on 13.04.2020 by Kedar Sharma, Sudhir Morla, Arun Goyal, Sachin Kumar

The recent outbreak of pandemic severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) has led the world towards global health emergency. Currently no proper medicine or effective treatment strategies are available, therefore repurposing may play an important role in overcoming the situation. The SARS-CoV-2 genome encodes for 2-O-methyltransferase (2’OMTase) which plays a key role in methylation of viral RNA for evading host immune system. In the present study, the protein sequence of 2’OMTase of SARS-CoV-2 was analysed and its structure was modeled by comparative modeling approach and validated. The modeled structure displayed the conserved characteristic fold of class I MTase family. The library of 3000 drugs was screened against the active site of 2’OMTase. The docking analysis displayed that the active site of 2’OMTase accommodates an array of drugs which includes alkaloids, antivirals, cardiac glycosides, anticancer, steroids and other drugs. The results suggested that these drugs may be used potential inhibitors for 2’OMTase for combating the SARS-CoV-2 infection.

History

Email Address of Submitting Author

sachinku@iitg.ac.in

Institution

Indian Institute of Technology Guwahati

Country

India

ORCID For Submitting Author

0000-0002-8526-6013

Declaration of Conflict of Interest

No conflict of interest

Version Notes

This is the first version

Exports

Logo branding

Categories

Exports