Discovery of novel non-peptidic and non-covalent small-molecule 3CL inhibitors as potential candidate for COVID-19 treatment.

Zhidong Jiang, Bo Feng, Yumin Zhang, Tianqing Nie, Hong Liu, Jia Li, Haixia Su, Leike Zhang, Yi Zang, Yu Zhou
Author Information
  1. Zhidong Jiang: School of Life Science and Technology, ShanghaiTech University, Shanghai, 201203, China.
  2. Bo Feng: Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai, 201203, China.
  3. Yumin Zhang: State Key Laboratory of Virology, Wuhan Institute of Virology, Center for Biosafety Mega-Science, Chinese Academy of Sciences, Wuhan, 430071, China. ORCID
  4. Tianqing Nie: Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai, 201203, China.
  5. Hong Liu: Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai, 201203, China. ORCID
  6. Jia Li: Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai, 201203, China. ORCID
  7. Haixia Su: Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai, 201203, China. suhaixia1@simm.ac.cn.
  8. Leike Zhang: State Key Laboratory of Virology, Wuhan Institute of Virology, Center for Biosafety Mega-Science, Chinese Academy of Sciences, Wuhan, 430071, China. zhangleike@wh.iov.cn. ORCID
  9. Yi Zang: School of Life Science and Technology, ShanghaiTech University, Shanghai, 201203, China. yzang@lglab.ac.cn.
  10. Yu Zhou: School of Life Science and Technology, ShanghaiTech University, Shanghai, 201203, China. zhouyu@simm.ac.cn.

Abstract

No abstract text available.

References

  1. Hu, B., Guo, H., Zhou, P. & Shi, Z. L. Characteristics of SARS-CoV-2 and COVID-19. Nat. Rev. Microbiol. 19, 141–154 (2021). [DOI: 10.1038/s41579-020-00459-7]
  2. Jin, Z. et al. Structure of M(pro) from SARS-CoV-2 and discovery of its inhibitors. Nature 582, 289–293 (2020). [DOI: 10.1038/s41586-020-2223-y]
  3. Owen, D. R. et al. An oral SARS-CoV-2 M(pro) inhibitor clinical candidate for the treatment of COVID-19. Science 374, 1586–1593 (2021). [DOI: 10.1126/science.abl4784]
  4. Dai, W. et al. Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease. Science 368, 1331–1335 (2020). [DOI: 10.1126/science.abb4489]
  5. Unoh, Y. et al. Discovery of S-217622, a noncovalent oral SARS-CoV-2 3CL protease inhibitor clinical candidate for treating COVID-19. J. Med. Chem. 65, 6499–6512 (2022). [DOI: 10.1021/acs.jmedchem.2c00117]
  6. Gao, S. et al. Discovery and crystallographic studies of nonpeptidic piperazine derivatives as covalent SARS-CoV-2 main protease inhibitors. J. Med. Chem. 65, 16902–16917 (2022). [DOI: 10.1021/acs.jmedchem.2c01716]
  7. Gao, S. et al. Discovery and crystallographic studies of trisubstituted piperazine derivatives as non-covalent SARS-CoV-2 main protease inhibitors with high target specificity and low toxicity. J. Med. Chem. 65, 13343–13364 (2022). [DOI: 10.1021/acs.jmedchem.2c01146]
  8. Zang, Y. et al. High-throughput screening of SARS-CoV-2 main and papain-like protease inhibitors. Protein Cell. 14, 17–27 (2023). [PMID: 36726755]

MeSH Term

Humans
COVID-19
COVID-19 Drug Treatment
SARS-CoV-2
Binding Sites

Word Cloud

Created with Highcharts 10.0.0Discoverynovelnon-peptidicnon-covalentsmall-molecule3CLinhibitorspotentialcandidateCOVID-19treatment

Similar Articles

Cited By