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Drug Dev Res ; 82(2): 217-229, 2021 04.
Artículo en Inglés | MEDLINE | ID: mdl-32984987

RESUMEN

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.


Asunto(s)
Tratamiento Farmacológico de COVID-19 , Proteasas 3C de Coronavirus/metabolismo , Inhibidores de Agregación Plaquetaria/metabolismo , SARS-CoV-2/metabolismo , Glicoproteína de la Espiga del Coronavirus/metabolismo , Cilostazol/metabolismo , Cilostazol/uso terapéutico , Aprobación de Drogas , Evaluación Preclínica de Medicamentos , Reposicionamiento de Medicamentos , Ácido Eicosapentaenoico/análogos & derivados , Ácido Eicosapentaenoico/metabolismo , Ácido Eicosapentaenoico/uso terapéutico , Epoprostenol/metabolismo , Epoprostenol/uso terapéutico , Humanos , Iloprost/metabolismo , Iloprost/uso terapéutico , Simulación del Acoplamiento Molecular , Inhibidores de Agregación Plaquetaria/uso terapéutico , Clorhidrato de Prasugrel/metabolismo , Clorhidrato de Prasugrel/uso terapéutico , Estados Unidos , United States Food and Drug Administration
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