用于开发 SARS-CoV-2 3CL 蛋白酶抑制剂的先导化合物。
Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors.
机构信息
Aaron Diamond AIDS Research Center, Columbia University Irving Medical Center, New York, NY, USA.
Department of Microbiology and Immunology, Columbia University Irving Medical Center, New York, NY, USA.
出版信息
Nat Commun. 2021 Apr 1;12(1):2016. doi: 10.1038/s41467-021-22362-2.
We report the identification of three structurally diverse compounds - compound 4, GC376, and MAC-5576 - as inhibitors of the SARS-CoV-2 3CL protease. Structures of each of these compounds in complex with the protease revealed strategies for further development, as well as general principles for designing SARS-CoV-2 3CL protease inhibitors. These compounds may therefore serve as leads for the basis of building effective SARS-CoV-2 3CL protease inhibitors.
我们报告了三种结构不同的化合物——化合物 4、GC376 和 MAC-5576——作为 SARS-CoV-2 3CL 蛋白酶抑制剂的鉴定。这些化合物与蛋白酶复合物的结构揭示了进一步开发的策略，以及设计 SARS-CoV-2 3CL 蛋白酶抑制剂的一般原则。因此，这些化合物可以作为构建有效 SARS-CoV-2 3CL 蛋白酶抑制剂的基础。
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