基于网络药理学和分子对接探讨金匮肾气丸治疗老年2型糖尿病合并肌少症作用机制  

Exploration of Mechanism of Jinkui Shenqi Pills in Treating Type 2 Diabetes Mellitus Complicated with Sarcopenia in the Senior Based on Network Pharmacology and Molecular Docking Technology

作　　者：冯梦雪 王冰清 官莉莉 章联欢[1] 孙莉[1] FENG Mengxue;WANG Bingqing;GUAN Lili;ZHANG Lianhuan;SUN Li(Shaoxing Hospital of Chinese Medicine,Shaoxing Zhejiang 312000,China;Shaoxing Seventh People's Hospital,Shaoxing Zhejiang 312000,China)

机构地区：[1]绍兴市中医院,浙江绍兴312000 [2]绍兴市第七人民医院,浙江绍兴312000

出　　处：《新中医》2024年第22期189-197,共9页New Chinese Medicine

基　　金：浙江省中医药科技计划项目(2019ZA126)。

摘　　要：目的:基于网络药理学及分子对接探讨金匮肾气丸(JKSQW)治疗老年2型糖尿病合并肌少症的作用机制。方法:利用基因表达综合数据库(GEO)下载肌少症和2型糖尿病的数据集,取交集获得老年2型糖尿病合并肌少症的相关靶点。利用中药系统药理学(TCMSP)数据库筛选JKSQW的有效成分和靶点并可视化,与疾病靶点取交集后,导入STRING数据库,创建PPI网络图,采用Cytoscape_v3.9.1分析核心靶点,进行基因本体富集(GO)分析和京都基因与基因组百科全书(KEGG)通路分析。最后采用AutoDock Tools 1.5.6软件进行分子对接。结果:筛选出JKSQW治疗老年2型糖尿病合并肌少症的靶点205个,关键成分为槲皮素、豆甾醇、β-谷甾醇等,可能通过白细胞介素(IL)6、肿瘤坏死因子(TNF)、IL1α、趋化因子CCL2、IL1β等核心靶点,参与糖尿病并发症和细胞衰老、癌症、脂质和动脉粥样硬化、IL-17和TNF等信号通路进行调控。分子对接结果显示豆甾醇、β-谷甾醇与IL6、TNF、CCL2、IL1β具有良好的结合能力。结论:JKSQW治疗老年2型糖尿病合并肌少症的作用机制可能与IL-17信号通路有关,而豆甾醇、β-谷甾醇与IL6、TNF、CCL2、IL1β靶点显示出良好的对接结果。Objective:To explore the mechanism of Jinkui Shenqi Pills(JKSQW)in treating type 2 diabetes mellitus complicated with sarcopenia in the senior.Methods:The data sets of sarcopenia and type 2 diabetes mellitus were downloaded from the Gene Expression Ommibus(GEO)database,and the intersection was taken to obtain the related targets of type 2 diabetes complicated with sarcopenia in the senior.The effective components and targets of JKSQW were screened and visualized by using the Traditional Chinese Medicine Systems intersection with the disease targets were taken,it was imported into STRING database to create the PPI network diagram and Cytoscape_v3.9.1 was used to analyze the core targets,and Gene Ontology(GO)enrichment analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway analysis were performed.Finally,AutoDock Tools 1.5.6 software was used for molecular docking.Results:A total of 205 targets of JKSQW in the treatment of type 2 diabetes mellitus complicated with sarcopenia in the senior were screened out.The key components were quercetin,stigmasterol,β-sitosterol,etc.,which may be involved in the signaling pathways of diabetic complications,cell senescence,cancer,lipid,atherosclerosis,IL-17 and TNF through such core targets as interleukin(IL)6,tumor necrosis factor(TNF),IL1α,chemokine CCL2,and IL1β.The results of molecular docking showed that stigmasterol andβ-sitosterol had good binding ability with IL6,TNF,CCL2 and IL1β.Conclusion:The possible mechanism of JKSQW in treating type 2 diabetes mellitus complicated with sarcopenia in the senior is mainly related to the IL-17 signaling pathway,while stigmasterol andβ-sitosterol show good docking results with targets IL6,TNF,CCL2 and IL1β.

关 键 词：老年2型糖尿病合并肌少症 金匮肾气丸 网络药理学 分子对接 IL-17信号通路 

分 类 号：R259[医药卫生—中西医结合] R587.1[医药卫生—中医内科学]