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Discovery of 3CLpro inhibitor of SARS-CoV-2 main protease.
Kuang, Yi; Ma, Xiaodong; Shen, Wenjing; Rao, Qingqing; Yang, Shengxiang.
Affiliation
  • Kuang Y; College of Chemical & Materials Engineering, Zhejiang A&F University, Lin'an, Zhejiang, 311300, PR China.
  • Ma X; College of Chemical & Materials Engineering, Zhejiang A&F University, Lin'an, Zhejiang, 311300, PR China.
  • Shen W; College of Chemical & Materials Engineering, Zhejiang A&F University, Lin'an, Zhejiang, 311300, PR China.
  • Rao Q; College of Chemical & Materials Engineering, Zhejiang A&F University, Lin'an, Zhejiang, 311300, PR China.
  • Yang S; College of Chemical & Materials Engineering, Zhejiang A&F University, Lin'an, Zhejiang, 311300, PR China.
Future Sci OA ; 9(4): FSO853, 2023 Apr.
Article in En | MEDLINE | ID: mdl-37090493
In this work, computer aided drug design technology was used to study the main protease 3CLpro of novel coronavirus, and functional small molecules with inhibitory effects on novel coronavirus were screened from the compound library of natural products. The results showed that Cleomiscosin C is highly promising as a potential 3CLpro inhibitor with prominent binding affinity, pharmacokinetic profiles and stability.
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Full text: 1 Database: MEDLINE Type of study: Prognostic_studies Language: En Journal: Future Sci OA Year: 2023 Type: Article
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Full text: 1 Database: MEDLINE Type of study: Prognostic_studies Language: En Journal: Future Sci OA Year: 2023 Type: Article