Baker & Hostetler LLP
3D-structure model of SARS coronavirus 3CL protease and anti-SARS drugs
The present invention discloses 3D-structure of SARS-CoV Viral 3CL Protease obtained through molecular simulation. The 3D-structure is used as a drug target for screening the existing medical database CMC (Comprehensive Medicinal Chemistry, MDL Information System, Inc.), and a group of compounds which have the activity of inhibiting SARS-CoV virus 3CL Protease are found. Cinanserin was tested at molecular and viral levels, and it was found to be able to inhibit the SARS-CoV viral 3CL protease and SARS-CoV viruses. Cinanserin analogs were synthesized and tested at molecular and viral levels, they were found to be able to inhibit the SARS-CoV virus 3CL Protease and SARS-CoV viruses, and may be used for treating and/or preventing SARS-CoV virus infection.
Shanghai Lead Discovery Pharmaceuticals Limited Company Shanghai Institute of Materia Medica, Chinese Academy of Sciences
A A A C A
A61P A61P A61K C12N A61P
inventional inventional inventional inventional inventional
Kaixian Xuchang Yifu Haibin Jianhua Jing Hualiang Xianhan Yiming Jingkang Donglu Fei Hong Tao Xu Lili Chunshan Xiaomin Bing Jianping
Chen He Yang Luo Shen Chen Jiang Zhuang Yang Shen Bai Ye Liu Sun Shen Chen Gui Luo Xiong Zuo