Investigating mechanism of"same treatment for different diseases"of Buyang Huanwu Decoction in treatment of coronary heart disease and ischemic stroke based on network pharmacology and molecular docking

Deng Hongxiao; Li Chunyan; Wang Yueqi; Pan Guozhong; Lin Ying; Zhang Diying; Li Siqi; Wang Xian

doi:10.3969/j.issn.1674-4055.2025.06.03

Abstract：Objective To explore the key targets,key components and possible pathways of Buyang Huanwu Decoction in the treatment of coronary heart disease and ischemic stroke by using network pharmacology and molecular docking techniques.Method Firstly,the key effective components and therapeutic target genes of Buyang Huanwu Decoction were searched and screened by TCMSP and SymMAP.Through GEO,the pathogenic genes closely related to coronary heart disease and ischemic stroke were obtained by WGCNA and R language,and the three genes were intersected.Secondly,the disease-drug-ingredient-target visual network map was constructed by using the screened Buyang Huanwu Decoction treatment target,and the target PPI network was constructed by using the intersection of the three genes.The key targets and components of Buyang Huanwu Decoction for the same treatment of different diseases were screened by PPI network and RWR algorithm.Then,through Matescape platform to conduct GO and KEGG enrichment analysis to obtain the possible pathway of Buyang Huanwu Decoction to treat different diseases.Finally,the AutoDockVina1.1.2 software was used to verify the molecular docking of the key targets and components of the disease.Result There were 74 key active components,99 related targets,3965 coronary heart disease genes,7575 ischemic stroke genes and 75 overlapping genes in Buyang Huanwu Decoction.INS,IL6 and TP53 are the key targets of Buyang Huanwu Decoction,while quercitrin,oleic acid and arachidonic acid are the key components of Buyang Huanwu Decoction.GO analysis showed that BP were mainly enriched in response to nutritional levels,response to oxidative stress and reactive oxygen species metabolism process,while CC were mainly enriched in vesicle lumen,secretory granule lumen and cytoplasmic vesicle lumen.MF is mainly concentrated in nuclear receptor activity,ligand-activated transcription factor activity and steroid binding.Conclusion KEGG enrichment analysis showed that lipid and atherosclerosis pathway,fluid shear stress and atherosclerosis pathway were important pathways for Buyang Huanwu Decoction to treat different diseases at the same time.Molecular docking showed that the two small molecule-protein complexes of ESR1 and baicalein,PPARG and β-carotene were core target genes and the key compounds of Buyang Huanwu Decoction.