Superiority of Cilostazol among antiplatelet FDA-approved drugs against COVID 19 Mpro and spike protein: Drug repurposing approach

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Superiority of Cilostazol among antiplatelet
FDA-approved drugs against COVID 19
Mpro and spike protein: Drug
repurposing approach
Mohammed A. Abosheasha, Afnan H. El-Gowily

Abstract: Coronavirus disease 2019 (COVID 19) was first identified in Wuhan, China near the end of 2019. To date, COVID-19 had spread to almost 235 countries and territories due to its highly infectious nature. Moreover, there is no vaccine or Food and Drug Administration (FDA)-approved drug. More time is needed to establish one of them. Consequently, the drug repurposing approach seems to be the most attractive and quick solution to accommodate this crisis. In this regard, we performed molecular docking-based virtual screening of antiplatelet FDA-approved drugs on the key two viral target proteins: main protease (Mpro) and spike glycoprotein (S) as potential inhibitor candidates for COVID-19. In the present study, 15 antiplatelet FDA approved drugs were investigated against the concerned targets using the Molecular Docking Server. Our study revealed that only cilostazol has the most favorable binding interaction on Mpro (PDB ID: 6LU7) and cilostazol, iloprost, epoprostenol, prasugrel, and icosapent ethyl have a higher binding affinity on spike glycoprotein (S) (PDB ID: 6VYB) compared with recent anti-CoVID-19. Therefore, cilostazol is a promising FDA drug against COVID-19 by inhibiting both Mpro and S protein. The insights gained in this study may be useful for quick approach against COVID-19 in the future.

CONCLUSION: In the past few months, COVID-19’s rapidly spread outbreak has raised challenges to the global health market. To date, there is no effective vaccine or approved medication to treat this disease. Given the time needed to establish one of these alternatives, the drug repurposing approach appears to be the most attractive and quick. To help counter COVID-19, the virtual molecular screening was carried out to classify antiplatelet FDA-approved drugs that are capable of linking COVID-19 with the Mpro and S protein. Among all antiplatelet FDA-approved drugs, cilostazol showed a promising FDA drug against COVID-19 by inhibiting both Mpro and S protein. In order to turn these potential inhibitors into therapeutic medicines, more in vitro and in vivo tests are required. The insights gained in this study may be useful for studying and designing new therapeutic anti-COVID-19 agents in the future.

KEYWORDS: Antiplatelet, COVID-19, Molecular docking, Mpro, SARS-CoV-2, Spike glycoprotein

Drug Dev Res. 2020;1–13. https://doi.org/10.1002/ddr.21743 ABOSHEASHA AND EL-GOWILY 13.

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