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

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..

Medienart:

Preprint

Erscheinungsjahr:

2021

Erschienen:

2021

Enthalten in:

chemRxiv.org - (2021) vom: 18. Nov. Zur Gesamtaufnahme - year:2021

Sprache:

Englisch

Beteiligte Personen:

Sakuraba, Shun [VerfasserIn]
Kono, Hidetoshi [VerfasserIn]

Links:

Volltext [kostenfrei]

Themen:

540
Chemistry

doi:

10.26434/chemrxiv.13602731

funding:

Förderinstitution / Projekttitel:

PPN (Katalog-ID):

XCH019769865