基于网络药理学和分子对接探讨黄芪虫藤饮治疗糖尿病周围神经病变作用机制OA
Exploration on the Mechanism of Huangqi Chongteng Decoction in Treating Diabetic Peripheral Neuropathy Based on Network Pharmacology and Molecular Docking
目的 基于网络药理学与分子对接技术探讨黄芪虫藤饮治疗糖尿病周围神经病变(DPN)的潜在作用机制.方法 检索TCMSP和BATMAN2.0获取黄芪虫藤饮活性成分及对应靶点,检索GeneCards数据库获取DPN靶点.运用R语言4.2.3分析交集靶点并构建蛋白相互作用网络及药物-活性成分-靶点-疾病网络,进行GO功能和KEGG通路富集分析.使用AutoDockTools1.5.6进行分子对接.结果 共获取黄芪虫藤饮活性成分633个、靶点971个,DPN靶点681个,其中,药物-疾病交集靶点共153个,核心靶点为IL6、INS、TNF、IL1B、STAT3、ALB、AKT1、EGFR、IL10、TP53.GO功能富集主要包括含氧化合物应答、生物学质量调控、胁迫应答等生物学过程;胞外空间、胞外区域、囊泡、细胞质囊泡、内膜系统等胞内成分,蛋白质结合、信号受体结合、同源蛋白质结合、信号受体调节剂活性等分子功能.KEGG富集主要包括胰岛素抵抗、HIF-1等信号通路.分子对接结果显示,槲皮素与IL6、INS均具有高亲和力.结论 黄芪虫藤饮可能通过槲皮素、染料木黄酮等成分协同调控代谢与糖基化损伤、微循环障碍与缺氧相关通路干预DPN进程.
Objective To explore the potential mechanism of Huangqi Chongteng Decoction in treating diabetic peripheral neuropathy(DPN)based on network pharmacology and molecular docking technology.Methods The active components and potential targets of Huangqi Chongteng Decoction were screened through TCMSP and BATMAN 2.0 databases.GeneCards database was retrieved to obtain DPN targets.R language 4.2.3 was used to analyze intersection targets and construct protein interaction network and drug-active component-target-disease network.GO and KEGG pathway enrichment analysis was performed,and target docking was simulated by AutoDockTools 1.5.6.Results A total of 633 active components and 971 targets of Huangqi Chongteng Decoction were obtained,along with 681 disease targets for DPN.Among these,153 drug-disease intersection targets were identified,with IL6,INS,TNF,IL1B,STAT3,ALB,AKT1,EGFR,IL10 and TP53 identified as the core targets.GO functional enrichment analysis revealed that the biological processes mainly included response to oxygen-containing compounds,regulation of biological quality,and response to stress;the cellular components primarily involved extracellular space,extracellular region,vesicles,cytoplasmic vesicles,and the endomembrane system;the molecular functions mainly encompassed protein binding,signaling receptor binding,identical protein binding,and signaling receptor regulator activity.KEGG pathway enrichment primarily involved insulin resistance and the HIF-1 signaling pathway.Molecular docking results demonstrated that quercetin exhibited high binding affinity to both IL6 and INS.Conclusion Huangqi Chongteng Decoction may intervene in DPN process by regulating metabolism and glycosylation damage,microcirculation disturbance and hypoxia related pathways through quercetin,genistein and other components.
简珺;谢雪姣
湖南中医药大学第二附属医院,湖南 长沙 410005湖南中医药大学,湖南 长沙 410208
医药卫生
糖尿病周围神经病变黄芪虫藤饮网络药理学分子对接
diabetic peripheral neuropathyHuangqi Chongteng Decoctionnetwork pharmacologymolecular docking
《中国中医药图书情报杂志》 2026 (3)
12-17,6
湖南省教育厅科学研究项目(23A0302)
评论