[1]乔阳,袁庆,陈红阳,等.基于网络药理学与分子对接技术探讨葛根-黄芪药对治疗酒精性脑病的作用机制[J].西部中医药,2025,38(06):72-77.[doi:10.12174/j.issn.2096-9600.2025.06.14]
　QIAO Yang,YUAN Qing,CHEN Hongyang,et al.The Mechanism of Gegen-Huangqi in the Treatment of Alcoholic Encephalopathy: Based on Network Pharmacology and Molecular Docking[J].Western Journal of Traditional Chinese Medicine,2025,38(06):72-77.[doi:10.12174/j.issn.2096-9600.2025.06.14]
点击复制

基于网络药理学与分子对接技术探讨葛根-黄芪药对治疗酒精性脑病的作用机制()

《西部中医药》[ISSN:2096-9600/CN:62-1204/R]

卷:
38
期数:
2025年06期
页码:
72-77
栏目:
二次研究
出版日期:
2025-06-15

文章信息/Info

Title:
The Mechanism of Gegen-Huangqi in the Treatment of Alcoholic Encephalopathy: Based on Network Pharmacology and Molecular Docking
作者:
乔阳1, 袁庆2, 陈红阳3, 贾壮壮2, 刘震1
1.包头市中心医院，内蒙古 包头 014040
2.天津中医药大学，天津 301617
3.天津市中医药研究院附属医院，天津 300120
Author(s):
QIAO Yang1, YUAN Qing2, CHEN Hongyang3, JIA Zhuangzhuang2, LIU Zhen1
关键词:
酒精性脑病; 葛根; 黄芪; 药对; 网络药理学; 分子对接; 作用机制
Keywords:
alcoholic encephalopathy; drug combination; network pharmacology; molecular docking; mechanism
分类号:
R259
DOI:
10.12174/j.issn.2096-9600.2025.06.14
文献标志码:
A
摘要:
目的基于网络药理学及分子对接技术探讨葛根-黄芪药对治疗酒精性脑病（alcoholic encephalopathy，AE）的作用机制。 方法利用中药系统药理学数据库与分析平台（traditional Chinese medicine systems pharmacology database and analysis platform，TCMSP）获得葛根、黄芪的活性成分及蛋白靶点；通过人类基因数据库（the human gene database，GeneCards）、STRING数据库和Cytoscape-v3.8.2软件筛选AE疾病靶点；对药物活性成分与疾病靶点的交集进行基因本体论（gene ontology，GO）功能富集分析和京都基因与基因组百科全书（kyoto encyclopedia of genes and genomes，KEGG）通路富集分析；通过AutoDock Vina软件进行分子对接验证。 结果共获得葛根-黄芪药对12种有效活性成分，包括芒柄花素、β-谷甾醇、7-O-甲基异木糖醇等；得到10个AE与葛根-黄芪药对共同靶点；GO功能富集分析得到929个功能项，主要包括髓样白细胞分化、脱氧核糖核酸转录、上皮细胞迁移、转录调节复合物等；KEGG通路富集分析共获得86条信号通路，其中AGE-RAGE、IL-17、GnRH、Th1和Th2细胞分化、FcεRI等信号通路与AE关系最为密切；药物成分与核心靶点之间具有良好的结合能力。 结论葛根-黄芪药对治疗AE具有多成分、多靶点、多机制的特点，作用机制主要与神经保护、抑制神经元凋亡、提高免疫力、抗氧化应激、抗炎、改善微循环等有关。
Abstract:
ObjectiveTo discuss the mechanism of Gegen (Puerariae lobatae radix)-Huangqi (Astragali radix) in the treatment of alcoholic encephalopathy (AE) based on network pharmacology and molecular docking. MethodsActive ingredients and protein targets of Gegen and Huangqi were obtained using TCMSP; AE-related targets were screened via GeneCards, STRING databases and Cytoscape-v3.8.2; GO and KEGG were performed on the intersection of active herbal ingredients and the targets of diseases; molecular docking was verified via AutoDock Vina software. ResultsAll 12 effective active ingredients were obtained from the drug combination, including fermononetin, β-sitosterol, 7-O-methylxylitol. Ten common targets between AE and the drug combination were gained; GO functional enrichment analysis yielded 929 items, mainly covering myeloid differentiation, deoxyribonucleic acid transcription, epithelial cell migration and transcriptional complex; KEGG pathway enrichment analysis gained 86 signaling pathways, among them, AGE-RAGE, IL-17, GnRH, Th1 and Th2 cell differentiation, FcεRI and other signaling pathways were closely related to AE; herbal components and core targets present good binding ability. Conclusion Gegen-Huangqi could treat AE with the characteristics of multiple ingredients, multiple targets and multiple mechanisms, and the mechanism is mainly related to neural protection, the inhibition of neuronal apoptosis, improvement of immunity, antioxidant stress, anti-inflammation, and improvement of microcirculation.

相似文献/References:

[1]张维芯,周青,戴国梁,等.基于SARS-CoV-2关键蛋白ACE2探索“葛根-柴胡”治疗COVID-19的潜在机制[J].西部中医药,2022,35(05):1.[doi:10.12174/j.issn.2096-9600.2022.05.01]
　ZHANG Weixin,ZHOU Qing,DAI Guoliang,et al.The Potential Mechanism of “Gegen-Chaihu” in the Treatment of COVID-19 Based on SARS-CoV-2 Target Protein ACE2[J].Western Journal of Traditional Chinese Medicine,2022,35(06):1.[doi:10.12174/j.issn.2096-9600.2022.05.01]
[2]钱文文,辛宝,任晓梅,等.基于专利分析葛根研发热点及发展趋势[J].西部中医药,2021,34(05):92.[doi:10.12174/j.issn.2096-9600.2021.05.23]
　QIAN Wenwen,XIN Bao,REN Xiaomei,et al.Research and Development Hotspots and Trends of Gegen Based on Patent Analysis[J].Western Journal of Traditional Chinese Medicine,2021,34(06):92.[doi:10.12174/j.issn.2096-9600.2021.05.23]
[3]田红艳,许蕊蕊.不同产地葛根微乳提取物对链脲佐菌素2型糖尿病小鼠的降血糖作用探讨[J].西部中医药,2023,36(05):6.[doi:10.12174/j.issn.2096-9600.2023.05.02]
　TIAN Hongyan,XU Ruirui.Study on Hypoglycemic Activity of Microemulsion Extract of Gegen from Different Habitats on Streptozotocin- induced Type Two Diabetes Mellitus Mice[J].Western Journal of Traditional Chinese Medicine,2023,36(06):6.[doi:10.12174/j.issn.2096-9600.2023.05.02]

备注/Memo

备注/Memo:
乔阳（1989—），女，博士学位，主治医师。研究方向：中医药治疗脑血管疾病。内蒙古自治区自然科学基金（2020BS08012，2021BS08005）。
更新日期/Last Update: 2025-06-15