Insights into the conformation changes of SARS-CoV-2 spike receptor-binding domain on graphene.

ABSTRACT: Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has been widely spread in the world, causing more than two million deaths and seriously threatening human life. Effective protection measures are important to prevent the infection and spreading of the virus. To explore the effects of graphene on the virus adsorption and its biological properties, the adsorption process of the receptor binding domain (RBD) of SARS-CoV-2 on graphene has been investigated by molecular dynamics simulations in this paper. The results show that RBD can be quickly adsorbed onto the surface of graphene due to π-π stacking and hydrophobic interactions. Residue PHE486 with benzene ring has stronger adsorption force and the maximum contact area with graphene. Graphene significantly affects the secondary st

SUBMITTER: Du J 

PROVIDER: S-EPMC8627288 | biostudies-literature | 2022 Mar

REPOSITORIES: biostudies-literature