西洛他唑
重新调整用途
药理学
药品
2019年冠状病毒病(COVID-19)
严重急性呼吸综合征冠状病毒2型(SARS-CoV-2)
2019-20冠状病毒爆发
药物重新定位
医学
穗蛋白
病毒学
阿司匹林
生物
内科学
传染病(医学专业)
生态学
疾病
爆发
作者
Mohammed A. Abosheasha,Afnan H. El‐Gowily
摘要
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 (M pro ) 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 M pro (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 M pro and S protein. The insights gained in this study may be useful for quick approach against COVID‐19 in the future.
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