TY - JOUR
T1 - Possible impact of plasma oxidation on the structure of the C-terminal domain of SARS-CoV-2 spike protein
T2 - A computational study
AU - Attri, Pankaj
AU - Koga, Kazunori
AU - Shiratani, Masaharu
N1 - Funding Information:
Acknowledgments This work is supported by JSPS-KAKENHI grant number 20K14454 and partly supported by JSPS-KAKENHI grant numbers JP16H03895, JP19H05462, JP19K14700, JP20H01893, JP20K14454, Plasma Bio Consortium and the Center for Low-temperature Plasma Sciences, Nagoya University. ORCID iDs Pankaj Attri https://orcid.org/0000-0002-5036-7877 Kazunori Koga https://orcid.org/0000-0002-9214-7493 Masaharu Shiratani https://orcid.org/0000-0002-4103-3939
Publisher Copyright:
© 2021 The Japan Society of Applied Physics
Copyright:
Copyright 2021 Elsevier B.V., All rights reserved.
PY - 2021/2
Y1 - 2021/2
N2 - 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.
AB - 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.
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U2 - 10.35848/1882-0786/abd717
DO - 10.35848/1882-0786/abd717
M3 - Article
AN - SCOPUS:85100373263
SN - 1882-0778
VL - 14
JO - Applied Physics Express
JF - Applied Physics Express
IS - 2
M1 - 027002
ER -
