Invention Grant
US07662860B2 3D-structure model of SARS coronavirus 3CL protease and anti-SARS drugs
失效
SARS冠状病毒3CL蛋白酶和抗SARS药物的3D结构模型
- Patent Title: 3D-structure model of SARS coronavirus 3CL protease and anti-SARS drugs
- Patent Title (中): SARS冠状病毒3CL蛋白酶和抗SARS药物的3D结构模型
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Application No.: US11293847Application Date: 2005-12-02
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Publication No.: US07662860B2Publication Date: 2010-02-16
- Inventor: Jianhua Shen , Hualiang Jiang , Xu Shen , Jianping Zuo , Xiaomin Luo , Donglu Bai , Jingkang Shen , Kaixian Chen , Chunshan Gui , Lili Chen , Jing Chen , Yifu Yang , Xianhan Zhuang , Yiming Yang , Xuchang He , Hong Liu , Bing Xiong , Haibin Luo , Tao Sun , Fei Ye
- Applicant: Jianhua Shen , Hualiang Jiang , Xu Shen , Jianping Zuo , Xiaomin Luo , Donglu Bai , Jingkang Shen , Kaixian Chen , Chunshan Gui , Lili Chen , Jing Chen , Yifu Yang , Xianhan Zhuang , Yiming Yang , Xuchang He , Hong Liu , Bing Xiong , Haibin Luo , Tao Sun , Fei Ye
- Applicant Address: CN Shanghai CN Shanghai
- Assignee: Shanghai Institute of Materia Medica, Chinese Academy of Sciences,Shanghai Lead Discovery Pharmaceuticals Limited Company
- Current Assignee: Shanghai Institute of Materia Medica, Chinese Academy of Sciences,Shanghai Lead Discovery Pharmaceuticals Limited Company
- Current Assignee Address: CN Shanghai CN Shanghai
- Agency: Baker & Hostetler LLP
- Priority: CN03129071 20030604; WOPCT/CN03/00472 20030618
- Main IPC: A61K31/165
- IPC: A61K31/165
Abstract:
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.
Public/Granted literature
- US20060142383A1 3D-Structure model of SARS coronavirus 3CL protease and anti-SARS drugs Public/Granted day:2006-06-29
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