Study on the mechanism of active components of Liupao tea on 3CL pro based on HPLC‐DAD fingerprint and molecular docking technique
| Autor: | Xiao-Xue Chen, Cui-Ping Yu, Yu Zeng, Zhi-Min Wu, Lun-Li Lan, Dan-Shui Zhou, Wei-Ju Ni, Yi-Ping Ling, Shu-Yun Wei, Rui-Jin Qiu, Zhong-Huan Cao |
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| Rok vydání: | 2021 |
| Předmět: |
Pharmacology
0303 health sciences 030309 nutrition & dietetics Biophysics food and beverages 04 agricultural and veterinary sciences Cell Biology Epigallocatechin gallate complex mixtures 040401 food science High-performance liquid chromatography 03 medical and health sciences Rutin chemistry.chemical_compound 0404 agricultural biotechnology Epicatechin gallate chemistry Gallic acid Food science Caffeine IC50 Food Science Ellagic acid |
| Zdroj: | Journal of Food Biochemistry. 45 |
| ISSN: | 1745-4514 0145-8884 |
| DOI: | 10.1111/jfbc.13707 |
| Popis: | Liupao tea, a drink homologous to medicine and food. It can treat dysentery, relieve heat, remove dampness, and regulate the intestines and stomach. The objective of this study is to explore the material basis and mechanism of Liupao tea intervention in COVID-19 and to provide a new prevention and treatment programme for COVID-19. We used high performance liquid chromatography to analyze the extract of Liupao tea and establish its fingerprint. The main index components of the fingerprint were determined using SARS-COV-2 3-chymotrypsin-like protease (3CLpro ), and an in vitro drug screening model based on fluorescence resonance energy transfer was used to evaluate its inhibitory activity in vitro. The fingerprint results showed that the alcohol extract of Liupao tea contained gallic acid, epigallocatechin gallate (EGCG), caffeine, epicatechin gallate, rutin, and ellagic acid. The molecular docking binding energies of the six index components of SARS-CoV-2 3Clpro were all less than -5.0 kJ/mol and showed strong binding affinity. The results of in vitro activity showed that the IC50 of EGCG was 8.84 µmol/L, which could inhibit SARS-CoV-2 3Clpro to a certain extent. This study unleashed that EGCG has a certain inhibitory effect on SARS-CoV-2 3CLpro , and Liupao tea has a certain significance as a tea drink for the prevention of COVID-19. PRACTICAL APPLICATIONS: The objective of this study was to explore the material basis and mechanism of Liupao tea intervention in COVID-19 and to provide a new prevention and treatment programme for COVID-19. The molecular docking binding energies of the six index components of Liupao tea with SARS-CoV-2 3CLpro were all less than -5.0 kJ/mol, among them, the enzyme activity experiment shows that EGCG has a certain inhibitory effect on SARS-CoV-2 3CLpro , it can be used as a potential SARS-CoV-2 3CLpro inhibitor. We predicted that the understandings gained in the current research may evidence that Liupao tea has a certain significance as a tea drink for the prevention of COVID-19. |
| Databáze: | OpenAIRE |
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