喹啉酮类化合物作为SARS冠状病毒3CL蛋白酶抑制剂的合成及生物学评价
Synthesis and Biological Evaluation of Quinolinone Compounds as SARS CoV 3CL Inhibitors.
作者信息
Sun Yuanpei, Zhang Ning, Wang Jian, Guo Yu, Sun Bo, Liu Wei, Zhou Honggang, Yang Cheng
机构信息
College of Pharmacy, Nankai University, Tianjin 300071, China.
High Throughput Molecular Drug Discovery Center, Tianjin International Joint Academy of Biotechnology and Medicine, TEDA, Tianjin 300457, China.
出版信息
Chin J Chem. 2013 Sep;31(9):1199-1206. doi: 10.1002/cjoc.201300392. Epub 2013 Jul 19.
Abstract
SARS CoV 3CL is known to be a promising target for development of therapeutic agents against the severe acute respiratory syndrome (SARS). A quinolinone compound was selected via virtual screening, and it was synthetized and tested for enzymatic inhibition . Compound showed potent inhibitory activity (IC=0.44 µmol/L) toward SARS CoV 3CL. Further work on a series of quinolinone derivatives resulted in the discovery of the most potent compound , inhibiting SARS CoV 3CL with an IC of 36.86 nmol/L. The structure-activity relationships were also discussed.
摘要
已知严重急性呼吸综合征冠状病毒（SARS-CoV）3CL是开发抗严重急性呼吸综合征（SARS）治疗药物的一个有前景的靶点。通过虚拟筛选选择了一种喹啉酮化合物，并对其进行合成和酶抑制测试。化合物对SARS-CoV 3CL表现出强效抑制活性（IC=0.44 μmol/L）。对一系列喹啉酮衍生物的进一步研究发现了最有效的化合物，其对SARS-CoV 3CL的抑制常数IC为36.86 nmol/L。还讨论了构效关系。
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