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

Qiuyang Lu, Baiyang Zhang, Mingzi Sun, Lu Lu, Baian Chen, Hon Ho Wong, Cheuk Hei Chan, Tong Wu, Bolong Huang

Research output: Journal article publicationJournal articleAcademic researchpeer-review

2 Citations (Scopus)

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. This further leads to the polarization of segments for virus denaturation. This work has offered a direct visualization of protein interactions with noble metal surfaces from the atomic level, which will benefit anti-virus material developments in the future.

Original languageEnglish
Article number106110
JournaliScience
Volume26
Issue number3
DOIs
Publication statusPublished - 17 Mar 2023

Keywords

  • analytical method in materials science
  • chemical property
  • simulation in materials science

ASJC Scopus subject areas

  • General

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