Comparative protein structure network analysis on 3CL^pro from SARS-CoV-1 and SARS-CoV-2.

ABSTRACT: The main protease M^pro , 3CL^pro is an important target from coronaviruses. In spite of having 96% sequence identity among M^pros from SARS-CoV-1 and SARS-CoV-2; the inhibitors used to block the activity of SARS-CoV-1 M^pro so far, were found to have differential inhibitory effect on M^pro of SARS-CoV-2. The possible reason could be due to the difference of few amino acids among the peptidases. Since, overall 3-D crystallographic structure of M^pro from SARS-CoV-1 and SARS-CoV-2 is quite similar and mapping a subtle structural variation is seemingly impossible. Hence, we have attempted to study a structural comparison of SARS-CoV-1 and SARS-CoV-2 M^pro in apo and inhibitor bound states using protein structure network (P

SUBMITTER: Lata S 

PROVIDER: S-EPMC8242809 | biostudies-literature | 2021 Sep

REPOSITORIES: biostudies-literature