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基于网络药理学探讨四磨汤治疗功能型便秘的作用机制
Investigation of the Mechanism of Simo Decoction in Treating Functional Constipation Based on Network Pharmacology
目的 基于网络药理学,探究四磨汤对功能性便秘(Functional Constipation,FC)的治疗作用。方法 利用TCMSP、DisGeNET、Gene cards、OMIM,以及SwissTarget Prediction反向分子对接服务器,预测四磨汤中可能含有的有效成分及其在治疗FC中的潜在作用靶点。借助STRING数据库构建PPI网络,以识别核心作用靶点,并将核心靶点导入Cytoscape软件,绘制出PPI网络的互作图。使用David生物信息学资源,对有效作用靶点进行基因本体(Gene Ontology, GO)功能分类及京都基因与基因组百科全书(Kyoto Encyclopedia of Genes and Genomes, KEGG)通路的富集分析。结果 四磨汤有40个活性成分和575个作用靶点,与FC发病机制相关的作用靶点211个,经过拓扑分析得到41个关键治疗靶点,按degree值筛选出关键核心靶点AKTI、TNF、SRC、BCL2、EGFR,筛选出波尔定碱、槲皮素、山奈酚、6,7-二甲氧基-2 -(2 - 苯乙基)色酮、邻苯二甲酸二乙酯5个关键化合物成分。富集分析得到1245条GO功能条目与178条信号通路。结论 四磨汤通过其复合成分和多靶点作用机制,能够全面调节抗炎反应、细胞周期调节等关键生物学过程,有助于提升肠道的蠕动能力,进而对功能性便秘产生治疗效果。
Objective Based on network pharmacology, to explore the therapeutic effect of Simo Decoction on Functional Constipation (FC). Methods TCMSP, DisGeNET, Gene cards, OMIM, and SwissTarget Prediction reverse molecular docking server were used to predict the possible effective components in Simo Decoction and their potential targets in the treatment of FC. With the help of STRING database, PPI network is constructed to identify the core target. Subsequently, these core targets are imported into Cytoscape software, and the mutual graph of PPI network is drawn. In addition, the functional classification of Gene Ontology, GO) and the enrichment analysis of Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway were carried out on these effective targets by using David bioinformatics resources. Results Simo Decoction has 40 active components and 575 action targets, and 211 action targets related to the pathogenesis of FC. Through topological analysis, 41 key therapeutic targets were obtained. According to the degree value, AKTI, TNF, SRC, BCL2 and EGFR were selected, and boldine, quercetin, kaempferol and 6,7-dimethoxy -2 -(2-phenylethyl) were selected. 1245 GO function items and 178 signal paths were obtained by enrichment analysis. Conclusion Simotang can comprehensively regulate key biological processes such as anti-inflammatory reaction and cell cycle regulation through its compound components and multi-target mechanism. These comprehensive effects are helpful to improve the peristalsis ability of the intestine, and then have a therapeutic effect on functional constipation.
Simo Tang / Functional Constipation / Network Pharmacology / Mechanism Of Action
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