基于网络药理学和分子对接技术探讨益气化瘀清热方治疗儿童IgA肾病的作用机制  

Exploring the mechanism of Yiqi Huayu Qingre Fang(益气化瘀清热方)in treating pediatric IgA nephropathy based on network pharmacology and molecular docking technology

作　　者：赵永旺[1,2] 李冰[1,2] 李广[1,2] 李鹏飞[1,2] 翟文生[1,2] ZHAO Yongwang;LI Bing;LI Guang;LI Pengfei;ZHAI Wensheng(Department of Pediatrics,The First Affiliated Hospital of Henan University of Chinese Medicine,Zhengzhou,Henan,450000,China;School of Pediatric Medicine,Henan University of Chinese Medicine,Zhengzhou,Henan,450000,China)

机构地区：[1]河南中医药大学第一附属医院儿科,河南郑州450000 [2]河南中医药大学儿科医学院,河南郑州450000

出　　处：《中医儿科杂志》2025年第2期37-44,共8页Journal of Pediatrics of Traditional Chinese Medicine

基　　金：国家自然科学基金面上项目(82104930);河南省中医药科学研究专项课题(2021JDZY103)。

摘　　要：目的通过网络药理学和分子对接技术分析益气化瘀清热方治疗儿童IgA肾病的作用机制。方法通过中药系统药理学分析平台(TCMSP)和BATMAN-TCM数据库获取益气化瘀清热方中药物的活性成分及对应靶点,通过GeneCards数据库获取儿童IgA肾病的靶点基因,对两者取交集获取儿童IgA肾病相关的益气化瘀清热方活性成分作用靶点。应用Clusterprofiler进行基因本体(GO)富集分析,通过Cytoscape(v3.7.2)软件进行京都基因与基因组百科全书(KEGG)通路富集并筛选活性成分-靶点核心网络,运用Autodock Tools软件对关键活性成分与核心靶点进行分子对接验证。结果益气化瘀清热方活性成分与疾病的交集靶点有186个。GO富集和KEGG通路富集分析表明益气化瘀清热方治疗儿童IgA肾病的作用机制可能与血清白蛋白(ALB)、肿瘤坏死因子(TNF)、白细胞介素-6(IL-6)、蛋白激酶B(AKT1)、肿瘤蛋白P53TP53等有关。5个药物活性成分(槲皮素、西红花酸、木犀草素、山柰酚、丹参酮Ⅱa)和171项分子功能,同时筛选得到170条信号通路,包括脂质与动脉粥样硬化、PI3K-AKT信号通路、人巨细胞病毒感染信号通路、TNF信号通路等。结论益气化瘀清热方可通过槲皮素、西红花酸、木犀草素等活性成分作用于ALB、TNF、IL-6、AKT1、TP53等靶点治疗儿童IgA肾病,其机制可能与脂质和动脉粥样硬化、PI3K-AKT信号通路、TNF信号通路等有关。Objective To analyze the mechanism of Yiqi Huayu Qingre Fang(益气化瘀清热方)in treating pediatric IgA nephropathy using network pharmacology and molecular docking technology.Methods Active ingredients and corresponding targets of Yiqi Huayu Qingre Fang were obtained from the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP)and the BATMAN-TCM database.Target genes related to pediatric IgA nephropathy were retrieved from the GeneCards database.The intersection of these datasets identified potential targets of the formula for pediatric IgA nephropathy.Gene Ontology(GO)enrichment analysis was performed using Clusterprofiler,and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis was conducted using Cytoscape(V3.7.2)software to screen the core network of active ingredient-target interactions.Molecular docking validation of key active ingredients and core targets was performed using Autodock Tools software.ResultsA total of 186 intersection targets were identified between the active ingredients of Yiqi Huayu Qingre Fang and pediatric IgA nephropathy.GO and KEGG enrichment analyses indicated that the therapeutic mechanism of the formula might be associated with serum albumin(ALB),tumor necrosis factor(TNF),interleukin-6(IL-6),protein kinase B(AKT1),and TP53.Five active ingredients(quercetin,crocetin,luteolin,kaempferol,and tanshinone IIa)and 171molecular functions were identified,along with 170 signaling pathways,including lipid and atherosclerosis,PI3K-AKT signaling pathway,human cytomegalovirus infection,and TNF signaling pathway.Conclusion Yiqi Huayu Qingre Fang may treat IgA nephropathy by acting on targets such as ALB,TNF,IL-6,AKT1,and TP53 through active ingredients like quercetin,crocetin,and luteolin.The mechanism may be related to pathways such as lipid and atherosclerosis,PI3K-AKT signaling pathway,and TNF signaling pathway.

关 键 词：IGA肾病 儿童 益气化瘀清热方 分子对接 网络药理学 

分 类 号：R256.51[医药卫生—中医内科学]