基于网络药理学技术探究四君子汤对肠易激 综合征(IBS)的作用机制

Exploring the Mechanism of Action of Sijunzi Decoction in Irritable Bowel Syndrome (IBS) Based on Network Pharmacology

摘要: 本研究基于网络药理学与分子对接技术，系统探究四君子汤干预肠易激综合征(IBS)的潜在活性成分、核心靶点及分子机制。通过TCMSP数据库(OB ≥ 30%, DL ≥ 0.18)筛选四君子汤活性成分及靶点，联合GeneCards与OMIM获取IBS疾病靶点，共获149个交集靶点。经Cytoscape与STRING构建网络并进行拓扑分析，筛选出AKT1、TNF、JUN、BCL2等14个核心靶点。GO与KEGG富集分析表明，四君子汤主要通过调控免疫应答、神经功能及炎症反应，干预AGE-RAGE、IL-17、TNF信号通路及脂质代谢相关通路。分子对接结果证实核心成分与关键靶点结合能低、构象稳定。综上，四君子汤可能通过“多成分–多靶点–多通路”协同调控免疫炎症、神经–免疫交互及代谢网络干预IBS，为其临床合理应用与后续机制研究提供理论依据。

Abstract: This study systematically investigates the potential active components, core targets, and molecular mechanisms of Sijunzi Decoction (SJZD) in the intervention of irritable bowel syndrome (IBS) using network pharmacology and molecular docking techniques. Active ingredients and their corresponding targets of SJZD were screened from the TCMSP database (with oral bioavailability [OB] ≥ 30% and drug-likeness [DL] ≥ 0.18), while IBS-related disease targets were retrieved from the GeneCards and OMIM databases, yielding 149 intersecting targets. Network construction and topological analysis were performed using Cytoscape and STRING, leading to the identification of 14 core targets, including AKT1, TNF, JUN, and BCL2. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses revealed that SJZD primarily modulates immune responses, neurological functions, and inflammatory reactions by intervening in the AGE-RAGE, IL-17, and TNF signaling pathways, as well as lipid metabolism-related pathways. Molecular docking validated low binding energies and stable conformational interactions between the core components and key targets. In conclusion, Sijunzi Decoction may ameliorate IBS through a synergistic “multi-component, multi-target, multi-pathway” regulatory network involving immune-inflammatory responses, neuro-immune crosstalk, and metabolic processes. These findings provide a theoretical basis for the rational clinical application of SJZD and future mechanistic investigations.