丹黄散改善糖尿病肾病的机制研究OA
Investigating the mechanism of Danhuang powder in ameliorating diabetic nephropathy
目的 采用网络药理学与分子对接技术探讨丹黄散治疗糖尿病肾病(diabetic nephropathy,DN)的作用机制.方法 在中药系统药理学数据库与分析平台、HERB数据库中挖掘丹黄散的有效活性成分进行筛选整合;在GeneCards、TDD与OMIM数据库中将DN疾病靶点整合,运用Venny网站提取药物与疾病的交集靶点,分析并获取蛋白质-蛋白质相互作用(protein-protein interaction,PPI)网络,再进行筛选获取核心靶点.通过基因本体论(Gene Ontology,GO)和京都基因与基因组百科全书(Kyoto Encyclopedia of Genes and Genomes,KEGG)信号通路富集分析,筛选关键信号通路并绘制"中药-成分-疾病-靶点"网络图.利用AutoDock Vina和Pymol软件对关键活性成分和核心靶点进行分子对接及可视化处理.结果 获得丹黄散药物靶点、DN疾病靶点若干;PPI分析结果表明,丹黄散主要作用于AKT丝氨酸/苏氨酸蛋白激酶1、肿瘤蛋白P53、信号转导及转录激活因子3和核因子κB1等靶点;GO富集分析结果显示,生物过程、分子功能、细胞组分分别富集到2805、225和81个条目,KEGG信号通路169条;分子对接结果表明丹黄散中的关键活性成分与DN核心靶点之间均显示良好的结合活性.结论 丹黄散可联合多靶点、多通路发挥对DN的治疗作用.
Objective To investigate the mechanisms of Danhuang powder(DHS)treats diabetic nephropathy(DN)using network pharmacology and molecular docking.Methods Active compounds were retrieved from TCMSP and HERB;DN-related targets were obtained from GeneCards,TTD,and OMIM.Overlapping targets were identified(Venny),followed by protein-protein interaction(PPI)construction and topological analysis to determine core targets.Gene Ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)enrichment analyses characterized relevant biological processes and pathways.A herb-compound-disease-target network was built.Key compound-target interactions were validated by molecular docking(AutoDock Vina)and visualized in PyMOL.Results 165 common targets were identified.Core targets included AKT serine/threonine kinase 1,tumor protein p53,signal transducer and activator of transcription 3 and nuclear factor kappa B subunit 1.GO enrichment yielded 2805 biological processes,225 molecular functions and 81 cellular components;KEGG analysis identified 169 significant pathways.Molecular docking showed strong binding affinities between principal DHS compounds and core targets.Conclusion DHS exerts therapeutic effects on DN via multi-component,multi-target and multi-pathway mechanisms,supporting its clinical application and further pharmacological investigation.
胡柔;王安宇;黄菁;张黔丽;赵胜
贵州中医药大学第一临床医学院,贵州 贵阳 550025遵义市中医院内分泌科,贵州 遵义 563000遵义市中医院内分泌科,贵州 遵义 563000遵义市中医院内分泌科,贵州 遵义 563000仁怀市中医院代谢内分泌科,贵州仁怀 564500
医药卫生
丹黄散糖尿病肾病网络药理学分子对接
Danhuang powderDiabetic nephropathyNetwork pharmacologyMolecular docking
《中国现代医生》 2026 (6)
54-61,8
贵州省卫生健康委科学技术基金项目(gzwkj2025-184)贵州省科技计划项目(黔科合基础-ZK[2022]一般553)
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