Exploration on the material basis and mechanism of Prunus mume f. viridicalyx for anti-depression based on UPLC-QE-Orbitrap-MS combined with network pharmacology
10.3760/cma.j.cn115398-20240812-00108
- VernacularTitle:基于UPLC-QE-Orbitrap-MS结合网络药理学探讨绿萼梅抗抑郁作用的物质基础及作用机制
- Author:
Weisheng LYU
1
;
Cuijie WEI
;
Yueyi LIANG
;
Tianrui XIA
;
Dongmei SUN
;
Xiangdong CHEN
;
Xiaozhou JIA
Author Information
1. 广东一方制药有限公司 广东省中药配方颗粒企业重点实验室，佛山 528241
- Keywords:
Prunus Mume Var (TCD);
Liquid chromatography-mass spectrometry;
depression;
Network pharmacology;
Molecular mechanisms of pharmacological action (TCD)
- From:
International Journal of Traditional Chinese Medicine
2025;47(6):822-832
- CountryChina
- Language:Chinese
-
Abstract:
Objective:To identify the components of Prunus mume f. viridicalyx based on ultra performance liquid chromatography-QE-Orbitrap mass spectrometry (UPLC-QE-Orbitrap-MS); To predict and analyze its substances and mechanisms to exert anti-depression effects combined with network pharmacology.Methods:UPLC-QE Orbitrap MS technology was used to analyze the chemical components of Prunus mume f. viridicalyx. Based on ChemSpider, mzCloud online platform, orbitrap TCM library and existing literature research, the secondary mass spectra of target compounds were compared and confirmed to identify the chemical composition of Prunus mume f. viridicalyx. The active components of the Prunus mume f. viridicalyx were screened. The Swiss Target Prediction database was used to predict targets with high correlation to active components in Prunus mume f. viridicalyx, and obtaining depression related disease targets from GeneCards and DisGeNET databases. The intersection targets of constituents and diseases were obtained using Venny platform. Protein-protein interaction network (PPI) was constructed by using String database, and the core targets were screened. Gene ontology function and Kyoto encyclopedia of genes and genomes pathway enrichment analysis of potential core targets were performed by using David database, and "active component-core target-signal pathway" network was constructed. PyMOL software was used to perform molecular docking between active components and key targets.Results:A total of 54 components, including organic acids, flavonoids and their glycosides, alkaloid, amino acids and other compounds were identified from Prunus mume f. viridicalyx. A total of 22 active components were screened and 92 active components and disease intersection targets were identified. A total of 13 core targets were screened through PPI network, including tumor necrosis factor, albumin, amyloid beta-protein precursor, AKT serine/threonine kinase 1 and so on. Enrichment analysis showed that Prunus mume f. viridicalyx mainly participated in transcription from RNA polymerase Ⅱ promoter, gene expression, protein binding and other functions, and presented the effects of anti-depression through MAPK, Toll-like receptor signaling pathway and other pathways. 12 key targets and 7 key active components were further obtained through the analysis of the "active component-core target-signal pathway" network, three of them were confirmed as kaempferol, quercetin, and isorhamnetin by reference substance. Molecular docking showed that 3 compounds could bind to the target proteins of depression well.Conclusion:Prunus mume f. viridicalyx exerts antidepressant effects through multiple components, targets, and pathways, mainly through the MAPK signaling pathway.
