伊萨丁
维罗细胞
蛋白酶
生物信息学
IC50型
酶
病毒复制
化学
病毒学
体外
生物
药理学
微生物学
病毒
生物化学
基因
有机化学
作者
Mai H. ElNaggar,Abdullah A. Elgazar,Ghada Gamal,Shimaa R. Hamed,Zainab M. Elsayed,Mohamed K. El‐Ashrey,Amira Abood,Mahmoud A. El Hassab,Ahmed M. Soliman,Ramadan A. El-Domany,Farid A. Badria,Claudiu T. Supuran,Wagdy M. Eldehna
标识
DOI:10.1080/14756366.2023.2234665
摘要
SARS-CoV-2 pandemic in the end of 2019 led to profound consequences on global health and economy. Till producing successful vaccination strategies, the healthcare sectors suffered from the lack of effective therapeutic agents that could control the spread of infection. Thus, academia and the pharmaceutical sector prioritise SARS-CoV-2 antiviral drug discovery. Here, we exploited previous reports highlighting the anti-SARS-CoV-2 activities of isatin-based molecules to develop novel triazolo-isatins for inhibiting main protease (Mpro) of the virus, a crucial enzyme for its replication in the host cells. Particularly, sulphonamide 6b showed promising inhibitory activity with an IC50= 0.249 µM. Additionally, 6b inhibited viral cell proliferation with an IC50 of 4.33 µg/ml, and was non-toxic to VERO-E6 cells (CC50 = 564.74 µg/ml) displaying a selectivity index of 130.4. In silico analysis of 6b disclosed its ability to interact with key residues in the enzyme active site, supporting the obtained in vitro findings.
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