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

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. Supplemental data including binding poses and parameter files for the simulation.


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


Email Address of Submitting Author


National Institutes for Quantum and Radiological Research and Technology



ORCID For Submitting Author


Declaration of Conflict of Interest

Authors declare no competing interests.