Possible impact of plasma oxidation on the structure of the C-terminal domain of SARS-CoV-2 spike protein: A computational study

研究成果: Contribution to journalArticle査読

抄録

The recent outbreak of a novel coronavirus (SARS-CoV-2) has caused substantial public health issues worldwide. Cold atmospheric plasma (CAP) has shown its potential application in sterilization. It would be interesting to check the possible effect of CAP on the structure of the C-terminal domain of SARS-CoV-2 (SARS-CoV-2-CTD) spike protein and the interaction SARS-CoV-2-CTD with human angiotensin-converting enzyme 2 (hACE2). Therefore, we performed molecular dynamics simulations to calculate the root-mean-square deviation, root-mean-square fluctuation, principal component analysis and solvent-accessible surface area of SARS-CoV-2-CTD and the SARS-CoV-2-CTD/hACE2 complex with and without possible oxidation.

本文言語英語
論文番号027002
ジャーナルApplied Physics Express
14
2
DOI
出版ステータス出版済み - 2 2021

All Science Journal Classification (ASJC) codes

  • Engineering(all)
  • Physics and Astronomy(all)

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