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

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Abstract

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.

Original languageEnglish
Article number027002
JournalApplied Physics Express
Volume14
Issue number2
DOIs
Publication statusPublished - Feb 2021

All Science Journal Classification (ASJC) codes

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

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