Research Article
Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease
- View ORCID ProfileWenhao Dai1,2,*,
- View ORCID ProfileBing Zhang3,*,
- Xia-Ming Jiang4,*,
- View ORCID ProfileHaixia Su1,5,*,
- Jian Li1,6,
- View ORCID ProfileYao Zhao3,
- Xiong Xie1,5,
- View ORCID ProfileZhenming Jin3,
- Jingjing Peng1,5,
- View ORCID ProfileFengjiang Liu3,
- Chunpu Li1,5,
- You Li7,
- View ORCID ProfileFang Bai3,
- View ORCID ProfileHaofeng Wang3,
- View ORCID ProfileXi Cheng1,
- Xiaobo Cen7,
- Shulei Hu1,
- Xiuna Yang3,
- View ORCID ProfileJiang Wang1,5,
- View ORCID ProfileXiang Liu8,
- Gengfu Xiao4,
- View ORCID ProfileHualiang Jiang1,2,3,5,
- View ORCID ProfileZihe Rao3,
- Lei-Ke Zhang4,†,
- View ORCID ProfileYechun Xu1,5,†,
- View ORCID ProfileHaitao Yang3,†,
- View ORCID ProfileHong Liu1,2,5,6,†
- 1State Key Laboratory of Drug Research, CAS Key Laboratory of Receptor Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China.
- 2School of Pharmacy, China Pharmaceutical University, Nanjing 210009, Jiangsu, China.
- 3Shanghai Institute for Advanced Immunochemical Studies and School of Life Science and Technology, ShanghaiTech University, Shanghai 201210, China.
- 4State Key Laboratory of Virology, Wuhan Institute of Virology, Center for Biosafety Mega-Science, Chinese Academy of Sciences, Wuhan 430071, China.
- 5University of Chinese Academy of Sciences, Beijing 100049, China.
- 6College of Pharmacy, Nanjing University of Chinese Medicine, Qixia District, Nanjing 210023, China.
- 7National Chengdu Center for Safety Evaluation of Drugs, Westchina Hospital of Sichuan University, High-Tech Development Zone, Chengdu, Sichuan 610041, China.
- 8State Key Laboratory of Medicinal Chemical Biology, Frontiers Science Center for Cell Response, College of Life Sciences, College of Pharmacy, Nankai University, Tianjin 300353, China.
- ↵†Corresponding author. Email: hliu{at}simm.ac.cn (H.L.); yanght{at}shanghaitech.edu.cn (H.Y.); zhangleike{at}wh.iov.cn (L.-K.Z.); ycxu{at}simm.ac.cn (Y.X.)
↵* These authors contributed equally to this work.
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Science 19 Jun 2020:
Vol. 368, Issue 6497, pp. 1331-1335
DOI: 10.1126/science.abb4489
Vol. 368, Issue 6497, pp. 1331-1335
DOI: 10.1126/science.abb4489
Wenhao Dai
1State Key Laboratory of Drug Research, CAS Key Laboratory of Receptor Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China.
2School of Pharmacy, China Pharmaceutical University, Nanjing 210009, Jiangsu, China.
Bing Zhang
3Shanghai Institute for Advanced Immunochemical Studies and School of Life Science and Technology, ShanghaiTech University, Shanghai 201210, China.
Xia-Ming Jiang
4State Key Laboratory of Virology, Wuhan Institute of Virology, Center for Biosafety Mega-Science, Chinese Academy of Sciences, Wuhan 430071, China.
Haixia Su
1State Key Laboratory of Drug Research, CAS Key Laboratory of Receptor Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China.
5University of Chinese Academy of Sciences, Beijing 100049, China.
Jian Li
1State Key Laboratory of Drug Research, CAS Key Laboratory of Receptor Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China.
6College of Pharmacy, Nanjing University of Chinese Medicine, Qixia District, Nanjing 210023, China.
Yao Zhao
3Shanghai Institute for Advanced Immunochemical Studies and School of Life Science and Technology, ShanghaiTech University, Shanghai 201210, China.
Xiong Xie
1State Key Laboratory of Drug Research, CAS Key Laboratory of Receptor Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China.
5University of Chinese Academy of Sciences, Beijing 100049, China.
Zhenming Jin
3Shanghai Institute for Advanced Immunochemical Studies and School of Life Science and Technology, ShanghaiTech University, Shanghai 201210, China.
Jingjing Peng
1State Key Laboratory of Drug Research, CAS Key Laboratory of Receptor Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China.
5University of Chinese Academy of Sciences, Beijing 100049, China.
Fengjiang Liu
3Shanghai Institute for Advanced Immunochemical Studies and School of Life Science and Technology, ShanghaiTech University, Shanghai 201210, China.
Chunpu Li
1State Key Laboratory of Drug Research, CAS Key Laboratory of Receptor Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China.
5University of Chinese Academy of Sciences, Beijing 100049, China.
You Li
7National Chengdu Center for Safety Evaluation of Drugs, Westchina Hospital of Sichuan University, High-Tech Development Zone, Chengdu, Sichuan 610041, China.
Fang Bai
3Shanghai Institute for Advanced Immunochemical Studies and School of Life Science and Technology, ShanghaiTech University, Shanghai 201210, China.
Haofeng Wang
3Shanghai Institute for Advanced Immunochemical Studies and School of Life Science and Technology, ShanghaiTech University, Shanghai 201210, China.
Xi Cheng
1State Key Laboratory of Drug Research, CAS Key Laboratory of Receptor Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China.
Xiaobo Cen
7National Chengdu Center for Safety Evaluation of Drugs, Westchina Hospital of Sichuan University, High-Tech Development Zone, Chengdu, Sichuan 610041, China.
Shulei Hu
1State Key Laboratory of Drug Research, CAS Key Laboratory of Receptor Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China.
Xiuna Yang
3Shanghai Institute for Advanced Immunochemical Studies and School of Life Science and Technology, ShanghaiTech University, Shanghai 201210, China.
Jiang Wang
1State Key Laboratory of Drug Research, CAS Key Laboratory of Receptor Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China.
5University of Chinese Academy of Sciences, Beijing 100049, China.
Xiang Liu
8State Key Laboratory of Medicinal Chemical Biology, Frontiers Science Center for Cell Response, College of Life Sciences, College of Pharmacy, Nankai University, Tianjin 300353, China.
Gengfu Xiao
4State Key Laboratory of Virology, Wuhan Institute of Virology, Center for Biosafety Mega-Science, Chinese Academy of Sciences, Wuhan 430071, China.
Hualiang Jiang
1State Key Laboratory of Drug Research, CAS Key Laboratory of Receptor Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China.
2School of Pharmacy, China Pharmaceutical University, Nanjing 210009, Jiangsu, China.
3Shanghai Institute for Advanced Immunochemical Studies and School of Life Science and Technology, ShanghaiTech University, Shanghai 201210, China.
5University of Chinese Academy of Sciences, Beijing 100049, China.
Zihe Rao
3Shanghai Institute for Advanced Immunochemical Studies and School of Life Science and Technology, ShanghaiTech University, Shanghai 201210, China.
Lei-Ke Zhang
4State Key Laboratory of Virology, Wuhan Institute of Virology, Center for Biosafety Mega-Science, Chinese Academy of Sciences, Wuhan 430071, China.
Yechun Xu
1State Key Laboratory of Drug Research, CAS Key Laboratory of Receptor Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China.
5University of Chinese Academy of Sciences, Beijing 100049, China.
Haitao Yang
3Shanghai Institute for Advanced Immunochemical Studies and School of Life Science and Technology, ShanghaiTech University, Shanghai 201210, China.
Hong Liu
1State Key Laboratory of Drug Research, CAS Key Laboratory of Receptor Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China.
2School of Pharmacy, China Pharmaceutical University, Nanjing 210009, Jiangsu, China.
5University of Chinese Academy of Sciences, Beijing 100049, China.
6College of Pharmacy, Nanjing University of Chinese Medicine, Qixia District, Nanjing 210023, China.
