High-throughput screening of SARS-CoV-2 main and papain-like protease inhibitors
文献类型：期刊论文
| 作者 | Zang, Yi8,9,10,11 ; Su, Mingbo7; Wang, Qingxing5,6; Cheng, Xi8,9,10; Zhang, Wenru7; Zhao, Yao3,4; Chen, Tong6,9,10; Jiang, Yingyan11; Shen, Qiang11; Du, Juan8
|
| 刊名 | PROTEIN & CELL
 |
| 出版日期 | 2023-01-20 |
| 卷号 | 14期号:1页码:17-27 |
| 关键词 | high-throughput screening SARS CoV-2 main papain-like proteases |
| DOI | 10.1093/procel/pwac016 |
| 文献子类 | Article |
| 英文摘要 | The global COVID-19 coronavirus pandemic has infected over 109 million people, leading to over 2 million deaths up to date and still lacking of effective drugs for patient treatment. Here, we screened about 1.8 million small molecules against the main protease (M-pro) and papain like protease (PLpro), two major proteases in severe acute respiratory syndrome-coronavirus 2 genome, and identified 1851M(pro) inhibitors and 205 PLpro inhibitors with low nmol/l activity of the best hits. Among these inhibitors, eight small molecules showed dual inhibition effects on both M-pro and PLpro, exhibiting potential as better candidates for COVID-19 treatment. The best inhibitors of each protease were tested in antiviral assay, with over 40% of M-pro inhibitors and over 20% of PLpro inhibitors showing high potency in viral inhibition with low cytotoxicity. The X-ray crystal structure of SARS-CoV-2 M-pro in complex with its potent inhibitor 4a was determined at 1.8 angstrom resolution. Together with docking assays, our results provide a comprehensive resource for future research on anti-SARS-CoV-2 drug development. |
| WOS关键词 | DOMAIN ; REPLICATION ; BINDING ; MERS |
| WOS研究方向 | Cell Biology |
| 语种 | 英语 |
| 出版者 | OXFORD UNIV PRESS |
| WOS记录号 | WOS:000923531200003 |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/309718]  |
| 专题 | 新药研究国家重点实验室 |
| 通讯作者 | Yang, Xiuna; Jiang, Hualiang; Xiao, Gengfu; Zhao, Qiang; Li, Jia |
| 作者单位 | 1.Chinese Acad Sci, Inst Drug Discovery & Dev, Zhongshan Branch, Beijing 528400, Guangdong, Peoples R China 2.Chinese Acad Sci, CAS Ctr Excellence Biomacromolecules, Beijing 100101, Peoples R China; 3.ShanghaiTech Univ, Sch Life Sci & Technol, Shanghai 201210, Peoples R China; 4.ShanghaiTech Univ, Shanghai Inst Adv Immunochem Studies, Shanghai 201210, Peoples R China; 5.Chinese Acad Sci, Wuhan Inst Virol, Ctr Biosafety Mega Sci, State Key Lab Virol, Wuhan 430071, Peoples R China; 6.Univ Chinese Acad Sci, Beijing 100049, Peoples R China; 7.Nanjing Univ Chinese Med, Sch Chinese Mat Med, Nanjing 210023, Peoples R China; 8.UCAS, Hangzhou Inst Adv Study, Sch Pharmaceut Sci & Technol, Hangzhou 310024, Peoples R China; 9.Chinese Acad Sci, Shanghai Inst Mat Med, CAS Key Lab Receptor Res, Shanghai 201203, Peoples R China; 10.Chinese Acad Sci, Shanghai Inst Mat Med, State Key Lab Drug Res, Shanghai 201203, Peoples R China; |
| 推荐引用方式 GB/T 7714 | Zang, Yi,Su, Mingbo,Wang, Qingxing,et al. High-throughput screening of SARS-CoV-2 main and papain-like protease inhibitors[J]. PROTEIN & CELL,2023,14(1):17-27. |
| APA | Zang, Yi.,Su, Mingbo.,Wang, Qingxing.,Cheng, Xi.,Zhang, Wenru.,...&Li, Jia.(2023).High-throughput screening of SARS-CoV-2 main and papain-like protease inhibitors.PROTEIN & CELL,14(1),17-27. |
| MLA | Zang, Yi,et al."High-throughput screening of SARS-CoV-2 main and papain-like protease inhibitors".PROTEIN & CELL 14.1(2023):17-27. |
入库方式： OAI收割
来源：上海药物研究所
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