Potential pharmacodynamic substances and mechanism of Zhizi Houpu decoction in treating insomnia based on UHPLC-QTOF-MS and network pharmacology
10.16781/j.CN31-2187/R.20240682
- VernacularTitle:基于UHPLC-QTOF-MS与网络药理学的栀子厚朴汤治疗失眠潜在药效物质和作用机制
- Author:
Huifen WU
1
;
Yanqiu GU
;
Kunmiao FENG
;
Dan JIA
;
Yuanyuan DAI
;
Xiaofei CHEN
;
Ting HAN
Author Information
1. 山东中医药大学药学院生药学教研室,济南 250355;海军军医大学(第二军医大学)药学系,上海 200433
- Keywords:
Zhizi Houpu decoction;
insomnia;
ultra-high performance liquid chromatography with quadrupole time-of-flight mass spectrometry;
network pharmacology
- From:
Academic Journal of Naval Medical University
2025;46(10):1267-1277
- CountryChina
- Language:Chinese
-
Abstract:
Objective To establish an ultra-high performance liquid chromatography with quadrupole time-of-flight mass spectrometry(UPLC-QTOF-MS)method for identifying the active ingredients of Zhizi Houpu decoction,and to predict its material basis and mechanism of anti-insomnia effects using network pharmacology.Methods The chemical components of Zhizi Houpu decoction were identified according to UHPLC-QTOF-MS ion fragmentation rule combined with compound library and literature review.Components with oral bioavailability(OB)≥30％and drug-like properties(DL)≥0.18 were selected to construct the Zhizi Houpu decoction-active ingredients-target network.The STRING database and the Database for Annotation,Visualization,and Integrated Discovery(DAVID)were used to screen key target proteins.Subsequently,enrichment analysis was performed for biological processes,molecular functions,cellular components,and signaling pathways.Results A total of 107 chemical components were identified,including 35 compounds related to insomnia and 11 anti-insomnia targets such as AKT serine/threonine kinase 1,tumor protein 53,and prostaglandin-endoperoxide synthase 2.Gene Ontology functional enrichment analysis indicated that Zhizi Houpo decoction may exert its effects through cellular components such as the presynaptic membrane,dendrite,and plasma membrane,by participating in biological processes like chemical synaptic transmission,G protein signaling pathway,and neuron apoptosis,and by regulating molecular functions such as G protein-coupled serotonin receptor activity.Kyoto Encyclopedia of Genes and Genomes pathway enrichment analysis revealed that its anti-insomnia effects were mainly concentrated in pathways such as neuroactive ligand-receptor interaction,calcium signaling pathway,serotonergic synapse,and cyclic adenosine monophosphate signaling pathway.Conclusion The anti-insomnia effect of Zhizi Houpo decoction is the result of a synergistic action involving multiple components,multiple targets,and multiple pathways.Its material basis and mechanism of action are primarily related to regulating biological processes such as neurotransmitter metabolism,synaptic function,neuronal apoptosis,and inflammatory response.
