Potential antiviral properties of antiplatelet agents against SARS-CoV-2 infection: an in silico perspective.

Autor: Abosheasha MA; Cellular Genetics Laboratory, Graduate School of Science, Tokyo Metropolitan University, Tokyo, Japan., El-Gowily AH; Department of Chemistry, Biochemistry Division, Faculty of Science, Tanta University, Tanta, Egypt.; Department of Organ and Cell Physiology, Juntendo University, Tokyo, Japan., Elfiky AA; Biophysics Department, Faculty of Sciences, Cairo University, Giza, Egypt. abdo@sci.cu.edu.eg.
Jazyk: angličtina
Zdroj: Journal of thrombosis and thrombolysis [J Thromb Thrombolysis] 2022 Feb; Vol. 53 (2), pp. 273-281. Date of Electronic Publication: 2021 Sep 12.
DOI: 10.1007/s11239-021-02558-5
Abstrakt: SARS-CoV-2 represents the causative agent of the current pandemic (COVID-19). The drug repurposing technique is used to search for possible drugs that can bind to SARS-CoV-2 proteins and inhibit viral replication. In this study, the FDA-approved antiplatelets are tested against the main protease and spike proteins of SARS-CoV-2 using in silico methods. Molecular docking and molecular dynamics simulation are used in the current study. The results suggest the effectiveness of vorapaxar, ticagrelor, cilostazol, cangrelor, and prasugrel in binding the main protease (M pro ) of SARS-CoV-2. At the same time, vorapaxar, ticagrelor, and cilostazol are the best binders of the spike protein. Therefore, these compounds could be successful candidates against COVID-19 that need to be tested experimentally.
(© 2021. The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature.)
Databáze: MEDLINE
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