「Biophysics and Physicobiology」に Daisuke Kuroda, Kouhei Tsumoto による "Microsecond molecular dynamics suggest that a non-synonymous mutation, frequently observed in patients with mild symptoms in Tokyo, alters dynamics of the SARS-CoV-2 main protease" を掲載

2021年09月16日 学会誌

日本生物物理学会欧文誌［Biophysics and Physicobiology］に以下の論文が公開されました。

Daisuke Kuroda, Kouhei Tsumoto
"Microsecond molecular dynamics suggest that a non-synonymous mutation, frequently observed in patients with mild symptoms in Tokyo, alters dynamics of the SARS-CoV-2 main protease"

【Significance】
Based on a crystal structure of the SARS-CoV-2 main protease, we performed triplicate 5.0-μs molecular dynamics simulations of the wild-type and mutant P108S protease. This mutation might cause milder symptom observed in COVID-19 patients in Tokyo. Our simulations suggest that the mutation makes substrates less accessible to the catalytic dyad of the protease through rigidification of a loop structure at the entrance of the catalytic sites, which may then lead to milder manifestation of COVID-19. Although further experimental characterization is necessary, this is the first report that links the mutation P108S to the dynamics of the dimeric SARS-CoV-2 main protease.

Biophysics Physicobiology, 2021, Volume 18, Pages 215-222



URL:https://doi.org/10.2142/biophysico.bppb-v18.022

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