Mechanism of Banxia Houpo Decoction in the treatment of tension-type headache based on network pharmacology and molecular docking
10.3760/cma.j.cn115398-20210916-00235
- VernacularTitle:基于网络药理学和分子对接技术探讨半夏厚朴汤防治紧张型头痛作用机制
- Author:
Meichen PAN
1
;
Xiao DING
;
Jing TENG
;
Chunyi LYU
;
Xianghua QI
Author Information
1. 山东中医药大学第一临床医学院，济南 250000
- Keywords:
Ban Xia Hou Po Tang;
Tension-type headache;
Network pharmacology;
Molecular docking simulation;
Molecular mechanisms of pharmacological action (TCD)
- From:
International Journal of Traditional Chinese Medicine
2022;44(11):1278-1286
- CountryChina
- Language:Chinese
-
Abstract:
Objective:To explore the mechanism of the active compounds in Banxia Houpo Decoction treating tension type headache through network pharmacology and molecular docking.Methods:The potentially effective components and targets of Banxia Houpo Decoction were screened by TCMSP, and the action targets of tension type headache were obtained by GeneCards, PharmGKB, TTD, Drugbank and OMIM. The intersection target of "Banxia Houpo Decoction - tension type headache" was obtained by Perl software. The protein interaction network was uploaded to STRING database and topological analysis was carried out. With the help of Cytoscape 3.8.0 software, the visualization network of "Banxia Houpo Decoction - medicine ingredient-Target-tension type headache" was constructed, and the GO enrichment analysis and KEGG pathway enrichment analysis of the intersection targets were carried out by using R 4.1.0 language and related programs. The AutoDockTools-1.5.6 software was used to complete the molecular docking analysis.Results:There were 33 intersection targets in Banxia Houpo Decoction and tension type headache. Topological attribute analysis suggested that MAPK1, TP53, ESR1, PTGS2, MYC, CYP1A2, CYP3A4 and GSTP1 might be important potential targets of Banxia Houpo Decoction in the prevention and treatment of tension type headache. GO enrichment analysis showed 516 cell biological processes (BP), 62 cell components (CC) and 149 molecular functions (MF). KEGG pathway enrichment analysis showed that there were 94 related signal pathways, such as cGMP-PKG signaling pathway, Cholinergicsynapse, Serotonergic synapse and TNF signaling pathway.Conclusions:Banxia Houpo Decoction has multi-component, multi-target and multi-pathway characteristics in the prevention and treatment of tension-type headache. It mainly acts on 5-HT synaptic pathway, TNF signal pathway, cholinergic synaptic pathway, G protein coupled receptor pathway and other pathways through ESR1, TP53, PGTS2 and other multi target.
