[摘要] 目的 基于网络药理学及分子对接技术探究枫蓼肠胃康治疗肠易激综合征的作用靶点及机制。方法 通过数据挖掘筛选枫蓼肠胃康的有效成分，构建药物–靶点网络，识别与肠易激综合征相关的关键靶点及其通路。对主要活性成分与核心作用靶蛋白进行分子对接验证，评估结合能并进行结果可视化处理。结果 得到枫蓼肠胃康24个潜在活性成分，134个活性成分作用靶点，2353 个疾病相关靶点，取交集后得到70个潜在作用靶点，共涉及生物学过程898个，分子功能96个及细胞成分66种。京都基因与基因组百科全书富集分析表明枫蓼肠胃康治疗肠易激综合征的作用机制可能通过作用于核心靶点参与调控癌症通路、PI3K/Akt信号通路、磷脂酶D通路等关键信号通路实现。分子对接分析结果显示，枫蓼肠胃康的核心化合物与核心受体蛋白结合活性良好。结论 枫蓼肠胃康通过多信号通路发挥疗效，通过多靶点机制治疗肠易激综合征。

[关键词] 网络药理学；肠易激综合征；分子对接；靶点预测

[中图分类号] R966" """"[文献标识码] A """""[DOI] 10.3969/j.issn.1673-9701.2025.20.013

Exploring the molecular mechanism of fengliao changweikang in the treatment of irritable bowel syndrome based on network pharmacology and molecular docking technology

CAI Xinxin¹， HONG Suru²， WU Xiayang¹

1.Department of Pharmacy， Xiamen Children’s Hospital， Xiamen 361006， Fujian， China; 2.Department of Radiology， Xiamen Children’s Hospital， Xiamen 361006， Fujian， China

[Abstract] Objective To explore the target and mechanism of Fengliao Changweikang in treating irritable bowel syndrome （IBS） based on network pharmacology and molecular docking technology. Methods The effective components of Fengliao Changweikang were screened by data mining， and the drug-target network was constructed to identify the key targets and their pathways related to IBS. The molecular docking verification of the main active ingredients and core target proteins was carried out， and the binding energy was evaluated and the results were visualized. Results Fengliao Changweikang contained 24 potential active ingredients， 134 active ingredient targets， and 2353 disease-related targets. After intersecting these， 70 potential target points were identified， involving 898 biological processes， 96 molecular functions， and 66 cellular components. Kyoto Encyclopedia of Genes and Genomes enrichment analysis suggested that its mechanism of action in treating IBS may involve regulating key signaling pathways such as cancer pathways， PI3K/Akt signaling pathways， and phospholipase D pathways through interactions with core targets. Molecular docking analysis indicated that the core compounds in Fengliao Changweikang exhibit good binding activity with core receptor proteins. Conclusion Fengliao Changweikang works through multiple signaling pathways and multiple target mechanisms to treat IBS.

[Key words] Network pharmacology; Irritable bowel syndrome; Molecular docking; Target prediction

肠易激综合征（irritable bowel syndrome，IBS）是消化系统中最常见的功能性疾病，主要表现为患者腹痛或腹部不适及排便习惯的改变，其临床症状在排除器质性疾病后仍缺乏明确的形态学或生化指标异常^[1]。研究显示IBS发病机制涉及多种因素，包括痛觉敏感性改变、肠道菌群失衡、脑–肠轴功能紊乱、肠黏膜免疫激活过度、胆酸吸收异常及心理因素等^[2-3]。目前临床主要采用以泻药、止痉剂及抗抑郁药物为主的对症治疗方案，但疗效局限。……