Computational guided drug repurposing for targeting 2'-O-ribose methyltransferase of SARS-CoV-2.

ABSTRACT:

Aims

The recent outbreak of pandemic severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) has led the world towards a global health emergency. Currently, no proper medicine or effective treatment strategies are available; therefore, repurposing of FDA approved drugs may play an important role in overcoming the situation.

Materials and methods

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 analyzed, and its structure was modeled by a comparative modeling approach and validated. The library of 3000 drugs was screened against the active site of 2'OMTase followed by re-docking analysis. The apo an

SUBMITTER: Sharma K 

PROVIDER: S-EPMC7387922 | biostudies-literature | 2020 Oct

REPOSITORIES: biostudies-literature