Chemical constituents and anti-liver fibrosis mechanism of Meconopsis quintuplinervia based on UPLC-Q-Exactive-MS/MS and network pharmacology.
10.19540/j.cnki.cjcmm.20220917.201
- Author:
Yuan-Lin KONG
1
;
Jian-Guang ZHANG
2
;
Hong-Na SU
1
;
Mu-Jia LA
3
;
Jian-Long LAN
1
;
Zheng-Ming YANG
4
;
Quan MA
1
;
Yan-Fei HUANG
4
;
Yuan LIU
4
Author Information
1. College of Pharmacy,Southwest Minzu University Chengdu 610225,China Sichuan Engineering Laboratory of Qiang-Yi Medicinal Resources Protection and Utilization Technology Chengdu 610225,China Qinghai-Tibetan Plateau Ethnic Medicinal Resources Protection and Utilization Key Laboratory of National Ethnic Affairs Commission of the People's Republic of China Chengdu 610225,China.
2. Qinzhou Provincial Health School Qinzhou 535000,China.
3. College of Pharmacy,Southwest Minzu University Chengdu 610225,China.
4. Institute of Qinghai-Tibetan Plateau,Southwest Minzu University Chengdu 610225,China Sichuan Engineering Laboratory of Qiang-Yi Medicinal Resources Protection and Utilization Technology Chengdu 610225,China Qinghai-Tibetan Plateau Ethnic Medicinal Resources Protection and Utilization Key Laboratory of National Ethnic Affairs Commission of the People's Republic of China Chengdu 610225,China.
- Publication Type:Journal Article
- Keywords:
Meconopsis quintuplinervia;
UPLC-Q-Exactive-MS/MS;
liver fibrosis;
molecular docking;
network pharmacology
- MeSH:
Tandem Mass Spectrometry;
Molecular Docking Simulation;
Network Pharmacology;
Proto-Oncogene Proteins c-akt;
Papaveraceae;
Liver Cirrhosis;
Drugs, Chinese Herbal/pharmacology*
- From:
China Journal of Chinese Materia Medica
2022;47(22):6097-6116
- CountryChina
- Language:Chinese
-
Abstract:
In this study, UPLC-Q-Exactive-MS/MS was used to rapidly analyze the chemical constituents of Meconopsis quintupli-nervia, and the anti-liver fibrosis mechanism of M. quintuplinervia was preliminarily analyzed by network pharmacology, molecular docking, and cell experiments. The chemical constituents of M. quintuplinervia were identified according to the information of MS~1 and MS~2, as well as the data in the literature and databases. SwissTargetPrediction and TargetNet were used to predict the potential targets. The targets related to liver fibrosis were collected from GeneCards and OMIM. The protein-protein interaction(PPI) network was constructed by STRING. Cytoscape 3.6.1 was used to construct and analyze the "constituent-target-disease" network to obtain key targets and their corresponding constituents in the network. DAVID 6.8 was used for GO analysis and KEGG signaling pathway enrichment analysis. Finally, the preliminary verification was carried out by molecular docking and cell experiments. As a result, 106 chemical constituents were identified from M. quintuplinervia, including 66 flavonoids, 16 alkaloids, 18 phenolic acids, 1 anthocyanin, and 5 other constituents. Among them, 3 constituents were identified as potential new compounds, and 59 constituents were reported in M. quintuplinervia for the first time. Network pharmacology analysis showed that M. quintuplinervia presumably acted on AKT1, SRC, JUN, EGFR, STAT3, HSP90 AA1, MAPK3, and other core targets through luteolin, isorhamnetin, quercetin, apigenin, kaempferide, amurine, 2-methylflavinantine, allocryptopine, the multi and other active compounds, thereby regulating the PI3 K/AKT signaling pathway, pathways in cancer, proteoglycans in cancer, FoxO signaling pathway, and other pathways to exert anti-liver fibrosis effects. M. quintuplinervia extract(MQE) could significantly down-regulate PI3 K and AKT protein levels in the HSC-T6 cell model induced by TGF-β1, suggesting that MQE may have the ability to regulate the PI3 K/AKT signaling pathway. The findings of this study indicated that the anti-liver fibrosis effect of M. quintuplinervia had multi-constituent, multi-target, and multi-pathway characteristics, which may provide a scientific basis for the research on the pharmacodynamic materials, action mechanism, and quality markers of M. quintupli-nervia.
