Probing the affinity of noble metal nanoparticles to the segments of the SARS-CoV-2 spike protein.

ABSTRACT: Currently, scientists have devoted great efforts to finding effective treatments to combat COVID-19 infections. Although noble metal nanoparticles are able to realize protein modifications, their interactions with the protein are still unclear from the atomic perspective. To supply a general understanding, in this work, we have carried out theoretical calculations to investigate the interaction between protein segments (RBD1, RBD2, RBD3) of SARS-Cov-2 spike protein and a series of noble metal (Au, Ag, Cu, Pd, Pt) surfaces regarding the binding strength, protein orientations, and electronic modulations. In particular, the Au surface has shown the strongest binding preferences for the protein segments, which induces electron transfer between the Au and receptor-binding domain (RBD) segments.

SUBMITTER: Lu Q 

PROVIDER: S-EPMC9898944 | biostudies-literature | 2023 Mar

REPOSITORIES: biostudies-literature