These are preliminary reports that have not been peer-reviewed. They should not be regarded as conclusive, guide clinical practice/health-related behavior, or be reported in news media as established information. For more information, please see our FAQs.
Prediction of Ciclesonide Binding Site on Middle-East Respiratory Syndrome Coronavirus Nsp15 Multimer by Molecular Dynamics Simulations
preprintsubmitted 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.