Exploring Mechanism of Buyang Huanwu Decoction(补阳还五汤)in Prevention and Treatment of Small Cerebral Vascular Disease Based on Network Pharmacology and Molecular Docking Technology
Exploring Mechanism of Buyang Huanwu Decoction(补阳还五汤)in Prevention and Treatment of Small Cerebral Vascular Disease Based on Network Pharmacology and Molecular Docking Technology
Objective Based on network pharmacology and molecular docking technology,the potential mechanism of adding and reducing active ingredients of Buyang Huanwu Decoction(补阳 还 五 汤)in the treatment of cerebral small vessel disease(CSVD)was discussed.Methods The active ingredients and targets of Buyang Huanwu Decoction were screened from the bioin-formatics analysis tool of TCM molecular mechanism(BATMAN-TCM)and the TCM System pharmacology database and analy-sis platform(TCNSP),and the targets of cerebrovascular disease were collected through the online human Mendelian genetics(OMIM)and GeneCards databases.Venny 2.1.0 was used to make drug and disease target,and the intersection target was de-rived.The PPI network diagram of protein-protein interaction was constructed using STRING database,and key targets were screened by CytoNCA,a plug-in in Cytoscape 3.8.2 software.The intersection targets were introduced into the David database,and gene ontology(GO)analysis and KEGG enrichment analysis were carried out using the Weishengxin program.Moreover,the drug active ingredient target network and drug active ingredient target pathway network of Buyang Huanwu Decoction were con-structed using Cytoscape 3.8.2.Finally,the molecular docking was verified by AutoDock vinna software.Result There were 80 active ingredients in Buyang Huanwu Decoction,corresponding to 241 potential targets,and the network diagram showed that quercetin,β-sitosterol,kaempferol,stigmasterol and baicalein were the key ingredients in Buyang Huanwu Decoction for CSVD treatment.AKT1(serine/threonine protein kinase 1),ALB(albumin),TNF(tumor necrosis factor),TP53(nucleophosphorylated protein),VEGFA(vascular endothelial growth factor A)were the key targets for the treatment of CSVD.GO enrichment analysis may involve negative regulation of gene expression and the response of calluses to hypoxia.The cell group mainly involved synap-ses and RNA polymerase Ⅱ transcription factor complexes.Molecular functions included neurotransmitter gated ion channel activ-ity involved in postsynaptic membrane potential regulation,steroid hormone receptor activity,etc.KEGG enrichment analysis showed that it is mainly related to signaling pathways such as protein polysaccharides and IL-17 in non-small cell lung cancer and cancer.The molecular docking results indicated that the core target and main active ingredients in Buyang Huanwu Decoction have stable binding activity.Conclusion This study preliminarily revealed that Buyang Huanwu Decoction can treat CSVD through the mechanism of multi-target,multi-component and multi-pathway,providing a reliable basis for the clinical use of Wuyang Huanwu Decoction in the treatment of cerebral small vascular disease.
关键词
补阳还五汤加减/脑小血管病/网络药理学/分子对接/作用机制
Key words
Modified Buyang Huanwu Decoction(补阳还五汤加减)/cerebral small vessel disease/network pharmacology/molecular docking/mechanism of action
维普
万方数据