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Prediction of Ciclesonide Binding Site on Middle-East Respiratory Syndrome Coronavirus Nsp15 Multimer by Molecular Dynamics Simulations

preprint
submitted on 18.01.2021, 06:59 and posted on 19.01.2021, 04:49 by Shun Sakuraba, Hidetoshi Kono
Ciclesonide, a corticosteroid, was known to inhibit the growth of Middle-east respiratory syndrome (MERS) coronavirus. However, its molecular mechanism was unknown. We tried to uncover the molecular mechanism from the molecular dynamics simulation.
SARS_CoV_2_nsp15.pdf: The preprint document.
nsp15-mers-supp.zip: Supplemental data including binding poses and parameter files for the simulation.

Funding

JP20am0101106j0004, Basis for Supporting Innovative Drug Discovery and Life Science (BINDS), Agency for Medical Research and Development (AMED), Japan

19H05410, Grant-in-Aid for Scientific Research on Innovative Areas, the Ministry of Education, Culture, Sports, Science and Technology (MEXT), Japan

History

Email Address of Submitting Author

sakuraba.shun@qst.go.jp

Institution

National Institutes for Quantum and Radiological Research and Technology

Country

Japan

ORCID For Submitting Author

0000-0001-5768-2389

Declaration of Conflict of Interest

Authors declare no competing interests.

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