Discovery of novel inhibitors against main protease (Mpro) of SARS-CoV-2 via virtual screening and biochemical evaluation
文献类型：期刊论文
| 作者 | Guo,Sheng; Xie,Hang; Lei,Yu; Liu,Bin; Zhang,Li; Xu,Yechun; Zuo,Zhili
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| 刊名 | BIOORGANIC CHEMISTRY
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| 出版日期 | 2021 |
| 卷号 | 110页码:104767 |
| ISSN号 | 0045-2068 |
| 关键词 | SARS-CoV-2 Main protease Virtual screening Biochemical evaluation |
| DOI | 10.1016/j.bioorg.2021.104767 |
| 英文摘要 | SARS-CoV-2 is the pathogen that caused the global COVID-19 outbreak in 2020. Promising progress has been made in developing vaccines and antiviral drugs. Antivirals medicines are necessary complements of vaccines for post-infection treatment. The main protease (Mpro) is an extremely important protease in the reproduction process of coronaviruses which cleaves pp1ab over more than 11 cleavage sites. In this work, two active main protease inhibitors were found via docking-based virtual screening and bioassay. The IC50 of compound VS10 was 0.20 mu M, and the IC50 of compound VS12 was 1.89 mu M. The finding in this work can be helpful to understand the interactions of main protease and inhibitors. The active candidates could be potential lead compounds for future drug design. |
| WOS记录号 | WOS:000647575300009 |
| 源URL | [http://ir.kib.ac.cn/handle/151853/72997]  |
| 专题 | 中国科学院昆明植物研究所 |
| 作者单位 | 1.Chinese Acad Sci, Shanghai Inst Mat Med, CAS Key Lab Receptor Res, Shanghai 201203, Peoples R China 2.Chinese Acad Sci, Kunming Inst Bot, State Key Lab Phytochem & Plant Resources West Ch, Kunming 650201, Yunnan, Peoples R China 3.Sichuan Univ Sci & Engn, Sch Chem Engn, 180 Xueyuan St,Huixing Rd, Zigong 643000, Sichuan, Peoples R China |
| 推荐引用方式 GB/T 7714 | Guo,Sheng,Xie,Hang,Lei,Yu,et al. Discovery of novel inhibitors against main protease (Mpro) of SARS-CoV-2 via virtual screening and biochemical evaluation[J]. BIOORGANIC CHEMISTRY,2021,110:104767. |
| APA | Guo,Sheng.,Xie,Hang.,Lei,Yu.,Liu,Bin.,Zhang,Li.,...&Zuo,Zhili.(2021).Discovery of novel inhibitors against main protease (Mpro) of SARS-CoV-2 via virtual screening and biochemical evaluation.BIOORGANIC CHEMISTRY,110,104767. |
| MLA | Guo,Sheng,et al."Discovery of novel inhibitors against main protease (Mpro) of SARS-CoV-2 via virtual screening and biochemical evaluation".BIOORGANIC CHEMISTRY 110(2021):104767. |
入库方式： OAI收割
来源：昆明植物研究所
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