参芪地黄汤加味治疗慢性肾衰竭的网络药理学研究  

Network pharmacology study of shenqi dihuang jiawei decoction in the treatment of chronic renal failure

作　　者：吴斯琦 丁萌譞 刘宣麟 陆蕾 秦旭阳 舒占钧[3] WU Siqi;DING Mengxuan;LIU Xuanlin;LU Lei;QIN Xuyang;SHU Zhanjun(The Fourth Clinical Medical College of Xinjiang Medical University,Urumqi 830099,China;Xinjiang Uygur Autonomous Region Pharmaceutical Research Institute,Urumqi,830000,China;Research Institute of Traditional Chinese Medicine,the Fourth Affiliated Hospital of Xinjiang Medical University,Urumqi,830099,China)

机构地区：[1]新疆医科大学第四临床医学院,乌鲁木齐830099 [2]新疆维吾尔自治区药物研究院,乌鲁木齐830000 [3]新疆医科大学第四附属医院中医药临床研究基地,乌鲁木齐830099

出　　处：《新疆医学》2025年第3期290-300,共11页Xinjiang Medical Journal

基　　金：乌鲁木齐市中医药科技创新项目(项目编号:ZYYMS-45);新疆维吾尔自治区重点实验室开放课题(项目编号:2023D04075)。

摘　　要：目的运用网络药理学方法和分子对接技术探讨参芪地黄汤加味治疗慢性肾衰竭(CRF)的作用机制。方法利用TCMSP数据库获取参芪地黄汤加味的分子靶点。利用GeneCards数据库筛选CRF靶点并与参芪地黄汤加味靶点取交集。将交集靶点导入STRING数据库进行PPI分析。使用DAVID数据库进行GO和KEGG分析,运用Cytoscape软件构建药物-化合物-靶点网络模型。使用Autodock软件进行分子对接验证。结果筛选到150个活性成分,获取疾病靶点475个,取交集获得潜在基因作用靶点71个,筛选出10个核心靶点,对应槲皮素、藏红花素、豆甾醇、棕矢车菊素、β-熊果酸5个核心药物成分;核心靶点包括IL-6、TNF、ICAM-1、IL-8、VEGFA、MMP2、NOS3和TGF-β1等;主要涉及AGE-RAGE通路、IL-17通路、流体剪切应力与动脉粥样硬化、NF-κB通路、炎症性肠病、结核病通路、HIF-1通路等信号通路。分子对接结果表明,有效活性成分与核心靶点结合性较好。结论参芪地黄汤加味可能通过槲皮素、藏红花素、棕矢车菊素、β-熊果酸、豆甾醇等核心成分,作用于IL-6、TNF、ICAM-1、IL-8、VEGFA等核心靶点,调控AGE-RAGE、流体剪切应力与动脉粥样硬化、NF-κB等信号通路作用于CRF的治疗。Objective To investigate the mechanism of action of Shenqi dihuang jiawei decoction in the treatment of Chronic Renal Failure(CRF)by using network pharmacology method and molecular docking technology.Methods The TCMSP database was used to obtain the molecular targets of Shenqi dihuang jiawei decoction.The GeneCards database was used to screen CRF targets and intersect with the targets of Shenqi dihuang jiawei decoction.The intersecting targets were imported into the STRING database for PPI analysis.GO and KEGG analyses were performed using the DAVID database,and the drug-compound-target network model was constructed using Cytoscape software.Molecular docking validation was performed using Autodock software.Results 150 active ingredient targets were screened,475 disease targets were obtained,71 potential gene targets were obtained by intersection,10 core targets were screened,corresponding to 5 core pharmaceutical ingredients:quercetin,crocin,stigmasterol,brown cornidin,and β-ursolic acid,and the core components that played a role included quercetin,crocin,brown cornflower,etc.Core targets include IL-6,TNF,ICAM-1,IL-8,VEGFA,MMP2,NOS3 and TGF-β1;It mainly involves AGE-RAGE pathway,IL-17 pathway,fluid shear stress and atherosclerosis,NF-κB pathway,inflammatory bowel disease,tuberculosis pathway,HIF-1 pathway and other signaling pathways.The molecular docking results showed that the active ingredient had good binding to the core target.Conclusion Shenqi dihuang jiawei decoction may act on core targets such as IL-6,TNF,ICAM-1,IL-8 and VEGFA through core components such as quercetin,crocin,brown cornflower,β-ursolic acid and stigmasterol,and regulate AGE-RAGE,fluid shear stress,atherosclerosis,NF-κB and other signaling pathways in the treatment of CRF.

关 键 词：慢性肾衰竭 参芪地黄汤 网络药理学 分子对接 

分 类 号：R256.5[医药卫生—中医内科学]