8-茚并[1,2-b]噻唑衍生物的合成及生化评价作为新型 SARS-CoV-2 3CL 蛋白酶抑制剂。
Synthesis and Biochemical Evaluation of 8-Indeno[1,2-]thiazole Derivatives as Novel SARS-CoV-2 3CL Protease Inhibitors.
机构信息
School of Life Sciences and Health Engineering, Jiangnan University, Wuxi 214122, China.
School of Life Science and Biopharmaceutics, Shenyang Pharmaceutical University, Shenyang 110016, China.
出版信息
Molecules. 2022 May 23;27(10):3359. doi: 10.3390/molecules27103359.
The COVID-19 pandemic caused by SARS-CoV-2 is a global burden on human health and economy. The 3-Chymotrypsin-like cysteine protease (3CL) becomes an attractive target for SARS-CoV-2 due to its important role in viral replication. We synthesized a series of 8-indeno[1,2-]thiazole derivatives and evaluated their biochemical activities against SARS-CoV-2 3CL. Among them, the representative compound displayed inhibitory activity with an IC of 1.28 ± 0.17 μM against SARS-CoV-2 3CL. Molecular docking of against 3CL was performed and the binding mode was rationalized. These preliminary results provide a unique prototype for the development of novel inhibitors against SARS-CoV-2 3CL.
由 SARS-CoV-2 引起的 COVID-19 大流行对人类健康和经济造成了全球性负担。3-糜蛋白酶样半胱氨酸蛋白酶（3CL）由于在病毒复制中的重要作用，成为 SARS-CoV-2 的一个有吸引力的靶标。我们合成了一系列 8-茚并[1,2-]噻唑衍生物，并评估了它们对 SARS-CoV-2 3CL 的生化活性。其中，代表性化合物 对 SARS-CoV-2 3CL 的抑制活性 IC 为 1.28±0.17 μM。对 3CL 进行了 的分子对接，并且合理化了结合模式。这些初步结果为开发针对 SARS-CoV-2 3CL 的新型抑制剂提供了独特的原型。
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