Fitoterapia · 2025
"UPLC-Q-Exactive-Orbitrap-MS-network pharmacology-experimental verification" integrated strategy to explore substance basis of Coreopsis tinctoria flavonoids for liver protection.
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Du Juan, Zhou Xinyu, Chen Xinmei
Аннотация
OBJECTIVE: Preparing the extract of CTF and exploring the substance basis of CTF for liver protection.
METHODS: Firstly, to optimize the drying process of CTF and prepare CTF extract samples, the AHP-CRITIC-TOPSIS comprehensive evaluation model was used to construct the relationship between the index and the process. Secondly, UPLC-Q-Exactive-Orbitrap-MS technology was used to analyze the components of CTF extract, and combined with network pharmacology, the hepatoprotective active components of CTF were predicted, the APAP liver injury model was established for in vitro cell experiment.
RESULTS: The comprehensive score showed that the best drying process of CTF was hot air drying at 80 °C. A total of 30 chemical components were identified, including 25 kinds of flavonoids and 5 phenylpropanoids. Network pharmacology revealed that CTF may play a hepatoprotective role by acting on EGFR, BCL2 and other targets through active ingredients such as luteolin, quercetin and apigenin. Through molecular docking, it was determined that the binding energy of the key targets and the core components was < -5 kcal/mol, and the affinity was good. In cell experiments, it was further verified that CTF can alleviate APAP-induced liver injury.
CONCLUSION: In this study, the drying process of CTF was optimized and the extract rich in CTF were obtained. The key active components and targets of CTF for liver protection were revealed, and the substance basis of its efficacy was preliminarily clarified. The results provide a basis for further understanding the pharmacological mechanism of CTF.
METHODS: Firstly, to optimize the drying process of CTF and prepare CTF extract samples, the AHP-CRITIC-TOPSIS comprehensive evaluation model was used to construct the relationship between the index and the process. Secondly, UPLC-Q-Exactive-Orbitrap-MS technology was used to analyze the components of CTF extract, and combined with network pharmacology, the hepatoprotective active components of CTF were predicted, the APAP liver injury model was established for in vitro cell experiment.
RESULTS: The comprehensive score showed that the best drying process of CTF was hot air drying at 80 °C. A total of 30 chemical components were identified, including 25 kinds of flavonoids and 5 phenylpropanoids. Network pharmacology revealed that CTF may play a hepatoprotective role by acting on EGFR, BCL2 and other targets through active ingredients such as luteolin, quercetin and apigenin. Through molecular docking, it was determined that the binding energy of the key targets and the core components was < -5 kcal/mol, and the affinity was good. In cell experiments, it was further verified that CTF can alleviate APAP-induced liver injury.
CONCLUSION: In this study, the drying process of CTF was optimized and the extract rich in CTF were obtained. The key active components and targets of CTF for liver protection were revealed, and the substance basis of its efficacy was preliminarily clarified. The results provide a basis for further understanding the pharmacological mechanism of CTF.