Mechanisms of Guizhi Fuling Pills Treating Polycystic Ovary Syndrome and Endometriosis with Homotherapy for Heteropathy Based on Network Pharmacology and Molecular Docking
10.13359/j.cnki.gzxbtcm.2024.04.024
- VernacularTitle:基于网络药理学和分子对接探讨桂枝茯苓丸"异病同治"多囊卵巢综合征和子宫内膜异位症的作用机制
- Author:
Ting-Ting HUANG
1
;
Shao-Chuan HUO
;
Zhe-Fen MAI
;
Yi XIONG
;
Xia HAN
Author Information
1. 广州中医药大学第六临床医学院,广东深圳 518000
- Keywords:
Guizhi Fuling Pills;
polycystic ovary syndrome;
endometriosis;
homotherapy for heteropathy;
network pharmacology;
molecular docking
- From:
Journal of Guangzhou University of Traditional Chinese Medicine
2024;41(4):973-980
- CountryChina
- Language:Chinese
-
Abstract:
Objective To investigate the mechanism of Guizhi Fuling Pills in the treatment of polycystic ovary syndrome(PCOS)and endometriosis(EMT).Methods TCMSP was utilized to obtain the active ingredients and related targets of the constituent Chinese medicines of Guizhi Fuling Pills.GeneCards,PharmGKB,and TTD databases were used to screen PCOS and EMT disease targets,respectively.The Venn R diagram was drawn after obtaining the intersecting targets of drugs and diseases using the Venn R package in R software,the drug-active ingredient-potential target interactions network diagram was made in Cytoscape,the intersecting target protein-protein interactions(PPI)network diagram was drawn in the STRING platform,and Cytoscape was used to optimize the PPI network and screen the core targets.R language was applied for Gene Ontology(GO)enrichment and Kyoto Encyclopedia of Genes and Genomes(KEGG)enrichment analysis,and AutoDockTools was for molecular docking.Results A total of 85 active ingredients and 191 corresponding targets of Guizhi Fuling Pills were obtained,and 77 potential targets of Guizhi Fuling Pills for the treatment of PCOS and EMT.The core active ingredients of Guizhi Fuling Pills for PCOS and EMT were quercetin,β-sitosterol,kaempferol,hederagenin,baicalein,and the core targets were AKT1,EGFR,IL-6,TNF,and TP53.GO functional analysis yielded 2 020 biological process,34 cellular components,126 molecular functions,and KEGG enrichment analysis yielded 165 signaling pathways.Molecular docking showed that the core components in the formula docked well with the targets.Conclusion Guizhi Fuling Pills may regulate the signaling pathways of lipid and atherosclerosis,AGE-RAGE signaling pathway,fluid shear stress and atherosclerosis,and chemical carcinogenesis-receptor activation through quercetin,β-sitosterol,kaempferol,hederagenin,and baicalein,and act on AKT1,EGFR,IL-6,TNF,and TP53,thus treating PCOS and EMT with homotherapy for heteropathy.
