C₆₀ fullerene against SARS-CoV-2 coronavirus: an in silico insight.

ABSTRACT: Based on WHO reports the new SARS-CoV-2 coronavirus is currently widespread all over the world. So far > 162 million cases have been confirmed, including > 3 million deaths. Because of the pandemic still spreading across the globe the accomplishment of computational methods to find new potential mechanisms of virus inhibitions is necessary. According to the fact that C₆₀ fullerene (a sphere-shaped molecule consisting of carbon) has shown inhibitory activity against various protein targets, here the analysis of the potential binding mechanism between SARS-CoV-2 proteins 3CLpro and RdRp with C₆₀ fullerene was done; it has resulted in one and two possible binding mechanisms, respectively. In the case of 3CLpro, C₆₀ fullerene interacts in the catalytic binding

SUBMITTER: Hurmach VV 

PROVIDER: S-EPMC8423725 | biostudies-literature | 2021 Sep

REPOSITORIES: biostudies-literature