Identification of mutation resistance coldspots for targeting the SARS-CoV2 main protease.

ABSTRACT: Mutations in the novel coronavirus SARS-CoV2 are the major concern as they might lead to drug/vaccine resistance. In the host cell, the virus largely depends on the main protease (M^pro ) to regulate infection hence it is one of the most attractive targets for inhibitor design. However, >19,000 mutations in the M^pro have already been reported. The mutations encompassing 282 amino acid positions and these "hotspots" might change the M^pro structure, activity and potentially delay therapeutic strategies targeting M^pro . Thus, here we identified 24 mutational "coldspots" where mutations have not been observed. We compared the structure-function relationship of these coldspots with several SARS-CoV2 M^pro X-ray crystal structures. We found th

SUBMITTER: Krishnamoorthy N 

PROVIDER: S-EPMC8250577 | biostudies-literature | 2021 Apr

REPOSITORIES: biostudies-literature