Molecular mechanism of Yueju Pill for the treatment of functional dyspepsia based on network pharmacology and molecular docking
10.3760/cma.j.cn115398-20210506-00007
- VernacularTitle:基于网络药理学及分子对接探讨越鞠丸治疗功能性消化不良分子机制
- Author:
Yaru GU
1
;
Xinqiao CHU
;
Yue WANG
;
Yaning BIAO
;
Chenxu LIU
;
Yixin ZHANG
;
Congkun XIANG
Author Information
1. 河北中医学院药学院 河北省高校中药组方制剂应用技术研究中心，石家庄 050200
- Keywords:
Yue Ju Wan;
Functional dyspepsia;
Network pharmacology;
Molecular docking simulation;
Molecular mechanisms of pharmacological action (TCD)
- From:
International Journal of Traditional Chinese Medicine
2022;44(9):1028-1036
- CountryChina
- Language:Chinese
-
Abstract:
Objective:To discuss the mechanism of Yueju Pill in the treatment of functional dyspepsia (FD) based on network pharmacology and molecular docking.Methods:The chemical components and action targets of Yueju Pill were screened out by TCMSP platform and HERB, BATMAN-TCM database combined with literature were used to supplement effective components of Vietnam bow. The targets of FD were screened out by GeneCards database and OMIM database, and the intersection of the two targets was used to analyze the protein interactions using the STRING platform to construct the PPI network. Metascape platform was used for GO and KEGG pathway enrichment analysis, and Cytoscape 3.7.2 software was used to construct a network of "Yueju Pill components-functional dyspepsia targets-pathways". Online mapping tools were used to obtain the Venn plot of the intersection targets of Yueju Pill, FD and its related pathogenesis. Finally, AutoDock software was used for molecular docking.Results:The main active components of Yueju Pill in the treatment of FD are quercetin, wogonin, luteolin, kaempferol, etc. The main targets are AKT1, MAPK1, JUN, RELA, IL6, BCL2, BAX, MAPK8, EGFR, ESR1, etc. Molecular docking shows that the targets and the active components of the Yueju Pill have better binding abilit. The GO enrichment analysis result shows that there are 2 273 biological processes, 152 molecular functions and 91 cell components. KEGG enrichment analysis shows that there are 344 pathways associated with FD. According to literature review, the pathways related to FD include PI3K-Akt signaling pathway, AGE-RAGE signaling pathway, IL-17 signaling pathway, etc.Conclusion:Yueju Pill might act on AKT1, MAPK1, JUN, RELA, IL6, BCL2, BAX, MAPK8, EGFR, ESR1 and other targets to regulate PI3K-Akt signaling pathway, AGE-RAGE signaling pathways and IL-17 signaling pathway and it could treat FD.
