摘要
目的运用网络药理学及分子对接技术探究四逆散合二陈汤“异病同治”非酒精性脂肪性肝病(non-alcoholic fatty liver disease,NAFLD)、高脂血症(hyperlipidemia,HL)、抑郁症(major depressive disorder,MDD)的理论基础和相关机制。方法检索TCMSP数据库筛选四逆散合二陈汤的潜在活性成分,利用TCMSP及SwissTargetPrediction数据库获取作用靶点,通过GeneCards、DisGeNET数据库筛选3种疾病靶点,将活性成分作用靶点与疾病靶点取交集获得潜在作用靶点(共同靶点),利用Cytoscape 3.10.0软件、STRING数据库、DAVID数据库构建药物-成分-共同靶点-疾病网络图、蛋白相互作用网络图、GO及KEGG通路富集分析,运用Autodock 4.2.6和Pymol 2.5.0软件对筛选得到的关键活性成分与关键靶蛋白进行分子对接及可视化结果。结果共获得四逆散合二陈汤的活性成分163个,异病同治的潜在作用靶点71个,筛选得到槲皮素、柚皮素、山柰酚等主要活性化合物,IL-6、TNF、IL-1β等关键靶蛋白,以及AGE-RAGE、HIF-1、IL-17、TNF等信号通路相关蛋白表达,发现主要关键靶点均与主要活性成分有较强的结合活性。结论四逆散合二陈汤可能通过改善胰岛素抵抗、降低氧化应激、减轻炎症反应实现对NAFLD、HL、MDD的异病同治。
Objective To investigate the theoretical basis and mechanism of the combined use of Sini-Powder and ErChen-Decoction in treating non-alcoholic fatty liver disease(NAFLD),hyperlipidemia(HL),and depressive disorder(MDD)through the network pharmacology and molecular docking technology.Methods Potential active components of Sini-Powder and ErChen-Decoction were identified from the TCMSP database,and the target proteins were obtained from the TCMSP and SwissTargetPrediction databases.The target genes for three diseases including NAFLD,HL and MDD,were selected from GeneCards and DisGeNET databases.The potential target genes(common targets)were obtained by intersecting the active component target genes and the disease target genes.The drug-component-common target-disease network diagram,protein-protein interaction network diagram,GO and KEGG pathway enrichment analysis,and molecular docking and visualization of key active components and key target proteins were constructed using Cytoscape 3.10.0 software,STRING database,and DAVID database.Results A total of 163 active components were identified in Sini-Powder and ErChen Decoction,along with 71 potential common targets for treating different diseases with the same medicine.Key active compounds such as quercetin,naringenin,kaempferol were found,as well as key target proteins including IL-6,TNF,IL-1β;signaling pathways such as AGE-RAGE,HIF-1,and IL-17,TNF.The main key targets were strongly associated with the main active compounds.Conclusion Sini-Powder and ErChen-Decoction may alleviate NAFLD,HL,MDD by improving insulin resistance,reducing oxidative stress,and alleviating inflammation.
作者
奚香君
谭英斌
陈平
XI Xiangjun;TAN Yingbin;CHEN Ping(Department of Spleen and Gastric Diseases,Kunshan Hospital of Integrated Traditional Chinese and Western Medicine,Kunshan 215332;Department of Gastroenterology,Northern Branch of Ruijin Hospital Affiliated to Shanghai Jiao Tong University School of Medicine,China)
出处
《胃肠病学和肝病学杂志》
2025年第9期1321-1327,共7页
Chinese Journal of Gastroenterology and Hepatology
关键词
四逆散合二陈汤
非酒精性脂肪性肝病
高脂血症
抑郁症
异病同治
网络药理学
分子对接
Sini-Powder and Er-Chen Decoction
Non-alcoholic fatty liver disease
Hyperlipidemia
Depressive disorders
Same treatment for different diseases
Network pharmacology
Molecular docking
