[1]王新宇,陈宏,张伟.基于网络药理学和分子对接法探究越婢汤“提壶揭盖”法治疗小儿遗尿的机制研究[J].西部中医药,2026,39(08):58-66.[doi:10.12174/j.issn.2096-9600.2026.08.13]
　WANG Xinyu,CHEN Hong,ZHANG Wei.Study on the Mechanism of the "Lifting the Kettle and Uncovering the Lid" Method of Yuebi Decoction in the Treatment of Pediatric Enuresis Based on Network Pharmacology and Molecular Docking[J].Western Journal of Traditional Chinese Medicine,2026,39(08):58-66.[doi:10.12174/j.issn.2096-9600.2026.08.13]
点击复制

基于网络药理学和分子对接法探究越婢汤“提壶揭盖”法治疗小儿遗尿的机制研究()

《西部中医药》[ISSN:2096-9600/CN:62-1204/R]

卷:
39
期数:
2026年08期
页码:
58-66
栏目:
二次研究
出版日期:
2026-07-29

文章信息/Info

Title:
Study on the Mechanism of the "Lifting the Kettle and Uncovering the Lid" Method of Yuebi Decoction in the Treatment of Pediatric Enuresis Based on Network Pharmacology and Molecular Docking
作者:
王新宇1, 陈宏2, 张伟2
1.黑龙江中医药大学，黑龙江 哈尔滨 150000
2.黑龙江中医药大学附属第一医院，黑龙江 哈尔滨 150000
Author(s):
WANG Xinyu1, CHEN Hong2, ZHANG Wei2
1.Heilongjiang University of Chinese Medicine, Harbin 150000, China
2.First Affiliated Hospital, Heilongjiang University of Chinese Medicine, Harbin 150000, China
关键词:
越婢汤; 遗尿; 小儿; 提壶揭盖; 网络药理学; 分子对接
Keywords:
Decoction; enuresis; pediatric; lifting the kettle and uncovering the lid; network pharmacologymolecular docking
分类号:
R272.6
DOI:
10.12174/j.issn.2096-9600.2026.08.13
文献标志码:
A
摘要:
目的基于网络药理学与分子对接技术，探究越婢汤“提壶揭盖”法治疗小儿遗尿的作用机制。 方法通过TCMSP数据库及相关文献检索越婢汤化学成分信息；在PubChem、SwissTargetPrediction、OMIM、GeneCards、DisGeNET及DrugBank数据库筛选药物活性成分作用靶点与遗尿疾病靶点；利用STRING数据库获取药物-疾病交集靶点的蛋白互作关系，通过Cytoscape 3.8.2构建蛋白互作网络；采用Metascape平台进行GO功能与KEGG通路富集分析，并借助Cytoscape 3.8.2构建成分-靶点-通路可视化网络；运用AutoDock Tools 1.5.6结合AutoDock Vina完成分子对接验证。 结果从越婢汤中筛选得到98个活性成分，挖掘出与遗尿相关的作用靶点90个，最终鉴定核心靶点12个；分子对接结果显示部分活性成分与核心靶点结合活性良好；KEGG富集分析主要涉及雌激素信号通路、cAMP信号通路、EGFR酪氨酸激酶抑制剂抵抗、5-羟色胺能突触等通路，相关生物过程包括细胞对有机碳的反应、腺体发育等。 结论网络药理学分析提示越婢汤治疗小儿遗尿具有多成分、多靶点、多通路的协同作用特点，预测其核心活性成分甘草次酸、麻黄碱等，可能通过ESR1、ESR2、CHRNA7、HTR2A等靶点，调控雌激素信号通路、cAMP信号通路、EGFR酪氨酸激酶抑制剂抵抗、5-羟色胺能突触等通路发挥治疗作用；分子对接证实甘草次酸、柳穿鱼黄素、麻黄碱、左旋千金藤定碱、二氢辣椒素等核心化合物与ESR1、ESR2、CHRNA7、HTR2A、AKT1等主要靶点结合活性较强。
Abstract:
ObjectiveTo explore the mechanism of action of the "lifting the kettle and uncovering the lid" method of Yuebi Decoction in the treatment of pediatric enuresis based on network pharmacology and molecular docking. MethodsThe chemical composition information of Yuebi Decoction was retrieved through the TCMSP database and relevant literature. Drug active component targets and enuresis-related targets were screened using the PubChem, SwissTargetPrediction, OMIM, GeneCards, DisGeNET, and DrugBank databases. The protein-protein interaction network of the drug-disease intersection targets was obtained from the STRING database, and the network was constructed using Cytoscape 3.8.2. GO functional and KEGG pathway enrichment analyses were performed using the Metascape platform, and a component-target-pathway visualization network was constructed using Cytoscape 3.8.2. Molecular docking validation was carried out using AutoDock Tools 1.5.6 in combination with AutoDock Vina. ResultsA total of 98 active components were screened from Yuebi Decoction, and 90 enuresis-related targets were identified, with 12 core targets ultimately validated. Molecular docking results showed that some active components exhibited good binding activity to the core targets. KEGG enrichment analysis mainly involved pathways such as the estrogen signaling pathway, cAMP signaling pathway, EGFR tyrosine kinase inhibitor resistance, and serotonergic synapse, with related biological processes including cellular response to organic carbon and gland development. ConclusionNetwork pharmacology analysis suggests that Yuebi Decoction exerts therapeutic effects on pediatric enuresis through a synergistic mechanism involving multiple components, multiple targets, and multiple pathways. It is predicted that core active components such as glycyrrhetinic acid and ephedrine may act through targets including ESR1, ESR2, CHRNA7, and HTR2A, modulating pathways such as the estrogen signaling pathway, cAMP signaling pathway, EGFR tyrosine kinase inhibitor resistance, and serotonergic synapse to achieve therapeutic effects. Molecular docking confirmed that core compounds including glycyrrhetinic acid, pectolinarigenin, ephedrine, l stepholidine, and dihydrocapsaicin exhibit strong binding affinity to major targets such as ESR1, ESR2, CHRNA7, HTR2A, and AKT1.

相似文献/References:

[1]杜可,王仲易.针药结合治疗脾肾两虚型小儿遗尿症的临床研究[J].西部中医药,2020,33(06):105.[doi:10.12174/j.issn.1004-6852.2020.06.28]
　DU Ke,WANG Zhongyi.Clinical Study on the Combination of Acupuncture and Medicine in Treating Children with Enuresis of Spleen and Kidney Deficiency Pattern[J].Western Journal of Traditional Chinese Medicine,2020,33(08):105.[doi:10.12174/j.issn.1004-6852.2020.06.28]

备注/Memo

备注/Memo:
黑龙江省自然科学基金（H2018052）。王新宇（1997—），女，硕士学位。研究方向：小儿呼吸与泌尿系统疾病的中医治疗。
更新日期/Last Update: 2026-08-15