2. Academic Validation
  3. Design, synthesis, and biological evaluation of dithiocarbamate derivatives as SARS-CoV-2 Mpro inhibitors

Design, synthesis, and biological evaluation of dithiocarbamate derivatives as SARS-CoV-2 Mpro inhibitors

  • Bioorg Med Chem Lett. 2024 Dec 1:114:130011. doi: 10.1016/j.bmcl.2024.130011.
Jin-Qi Peng 1,  Ya-Qi Xiao 1,  Jiao Long 1,  Shuang-Shuang Zhang 2,  Yuan-Yuan Zhu 3,  Shuang-Xi Gu 4
Affiliations

Affiliations

  • 1 School of Chemical Engineering and Pharmacy, Hubei Key Laboratory of Novel Reactor and Green Chemical Technology, Key Laboratory for Green Chemical Process of Ministry of Education, Wuhan Institute of Technology, Wuhan 430205, China.
  • 2 School of Chemical Engineering and Pharmacy, Hubei Key Laboratory of Novel Reactor and Green Chemical Technology, Key Laboratory for Green Chemical Process of Ministry of Education, Wuhan Institute of Technology, Wuhan 430205, China. Electronic address: sszhangjf1994@163.com.
  • 3 School of Chemistry and Environmental Engineering, Wuhan Institute of Technology, Wuhan 430205, China. Electronic address: yyzhu@163.com.
  • 4 School of Chemical Engineering and Pharmacy, Hubei Key Laboratory of Novel Reactor and Green Chemical Technology, Key Laboratory for Green Chemical Process of Ministry of Education, Wuhan Institute of Technology, Wuhan 430205, China. Electronic address: shuangxigu@163.com.
PMID: 39486486 DOI: 10.1016/j.bmcl.2024.130011
Abstract

SARS-CoV-2 continues to mutate, spread, and impact public health and daily life. The main protease (Mpro) is essential for the replication and maturation of SARS-CoV-2, making it an ideal target for anti-coronaviral drug discovery and development due to its high conservation and lack of homologous proteases in humans. Herein, we designed and synthesized a series of dithiocarbamate derivatives as potent SARS-CoV-2 Mpro inhibitors. Notably, compound L2 exhibited an IC50 value of 9.1 ± 2.0 nM against SARS-CoV-2 Mpro, underscoring its potential as a promising candidate for anti-coronaviral therapy and justifying further research and development.

Keywords

Dithiocarbamates derivatives; Drug design; Main protease; SARS-CoV-2.

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