[1]张淑敏,刘维,王爱华,等.基于网络药理学和分子对接技术探讨车前子-泽泻药对治疗痛风的作用机制[J].西部中医药,2025,38(06):62-71.[doi:10.12174/j.issn.2096-9600.2025.06.13]
　ZHANG Shumin,LIU Wei,WANG Aihua,et al.Exploring the Mechanism of Cheqianzi-Zexie in the Treatment of Gout Based on Network Pharmacology and Molecular Docking[J].Western Journal of Traditional Chinese Medicine,2025,38(06):62-71.[doi:10.12174/j.issn.2096-9600.2025.06.13]
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基于网络药理学和分子对接技术探讨车前子-泽泻药对治疗痛风的作用机制()

《西部中医药》[ISSN:2096-9600/CN:62-1204/R]

卷:
38
期数:
2025年06期
页码:
62-71
栏目:
二次研究
出版日期:
2025-06-15

文章信息/Info

Title:
Exploring the Mechanism of Cheqianzi-Zexie in the Treatment of Gout Based on Network Pharmacology and Molecular Docking
作者:
张淑敏1, 刘维2, 王爱华2, 杨晓砚2, 李培豪2, 赵龙梅2, 廖荣君2
1.天津市中医药研究院附属医院，天津 300120
2.天津中医药大学第一附属医院/天津市中药方剂与证候重点实验室/国家中医针灸临床研究中心，天津 300193
Author(s):
ZHANG Shumin1, LIU Wei2, WANG Aihua2, YANG Xiaoyan2, LI Peihao2, ZHAO Longmei2, LIAO Rongjun2
关键词:
痛风; 车前子; 泽泻; 网络药理学; 分子对接技术; 作用机制
Keywords:
gout; network pharmacology; molecular docking; mechanism
分类号:
R256.59
DOI:
10.12174/j.issn.2096-9600.2025.06.13
文献标志码:
A
摘要:
目的基于网络药理学和分子对接技术探讨车前子-泽泻药对治疗痛风的作用机制。 方法通过中药系统药理学数据库与分析平台（traditional Chinese medicine systems pharmacology database and analysis platform，TCMSP）获取车前子、泽泻的活性成分及作用靶点，并筛选主要活性成分；通过人类基因数据库（the human gene database，GeneCards）、在线人类孟德尔遗传数据库（online mendelian inheritance in man，OMIM）、遗传药理学与药物基因组学数据库（pharmacogenetics and pharmacogenomics knowledge base，PharmGKB）、药物靶标数据库（therapeutic targetdatabase，TTD）获取痛风相关靶点，利用STRING平台进行蛋白质相互作用分析，构建蛋白-蛋白互作（protein-protein interactions，PPI）网络；采用R语言平台分析“药物-成分-靶点”及其参与的生物过程及通路，采用CytoScape 3.8.0构建车前子-泽泻药对-痛风靶点-通路网络，通过Pymol进行分子对接验证。 结果车前子-泽泻药对治疗痛风的活性成分共13种，其中槲皮素、谷甾醇、高车前素是其主要活性成分；车前子-泽泻药对治疗痛风靶点共29个，其中PTGS2、PPARG、CXCL8、IL-1β是其关键靶点；与痛风相关的信号通路为Th17、HIF-1、PI3K/AKT、花生四烯酸、IL-17、NF-κB、TNF等，主要与炎症、免疫反应相关。 结论车前子-泽泻药对能够通过多成分、多靶点、多通路治疗痛风。
Abstract:
ObjectiveTo discuss the mechanism of Cheqianzi (Plantaginis semen)-Zexie (Alismatis rhizoma) in the treatment of gout based on network pharmacology and molecular docking. MethodsThe active ingredients and targets of Cheqianzi and Zexie were obtained from TCMSP database for the screening of the main active ingredients; gout-associated targets were gained from GeneCards, OMIM, PharmGKB and TTD, and protein interactions analysis was performed on STRING platform to construct PPI network. R language platform was used to analyze "medicine-ingredient-target" and the biological processes and pathways in which it is involved, CytoScape 3.8.0 was adopted to construct the network of the drug combination Cheqianzi-Zexie- gout-related targets -pathway, and molecular docking was verified by Pymol. ResultsThere were 13 active ingredients in the drug pair for the treatment of gout, among them, quercetin, sitosterol and dinatin were the main active ingredients; PTGS2, PPARG, CXCL8 and IL-1β were the key targets among 29 targets related to the treatment of gout with the drug pair; the signaling pathways related to gout were Th17, HIF-1, PI3K/AKT, arachidonic acid, IL-17, NF-κB and TNF, mainly related to inflammation and immune reaction. Conclusion Cheqianzi-Zexie could treat gout via multi-ingredient, multi-target and multi-pathway.

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备注/Memo

备注/Memo:
张淑敏（1997—），女，硕士学位，医师。研究方向：中医药治疗风湿免疫疾病。国家自然科学基金面上项目（82074377，81673927）；国家中医药管理局中医药传承与创新“百千万”人才工程（岐黄工程）岐黄学者（20210602-1）；国家中医药管理局中医药重点学科能力提升项目（2018ZDXK001）。
更新日期/Last Update: 2025-06-15