二陈汤治疗分泌性中耳炎潜在机制的网络药理学与分子对接研究OA
Network pharmacology and molecular docking analysis of potential mechanism of Erchen Decoction in treating secretory otitis media
目的 基于网络药理学与分子对接技术系统探讨二陈汤治疗分泌性中耳炎(SOM)的潜在活性成分、关键作用靶点以及分子机制.方法 通过TCMSP数据库筛选二陈汤主要活性成分及预测靶点;利用DisGeNET、GeneCards和OMIM数据库获取SOM相关靶点;取交集靶点构建蛋白质-蛋白质相互作用(PPI)网络并筛选核心靶点;采用基因本体论(GO)功能注释和京都基因和基因组百科全书(KEGG)通路富集分析阐明其生物学功能;构建"中药-活性成分-靶点"网络筛选主要活性成分,并对核心靶点与关键成分进行分子对接验证.结果 共筛选出87个二陈汤与SOM的共同靶点.PPI网络分析显示,白细胞介素-6(IL-6)、肿瘤坏死因子(TNF)、蛋白激酶B(AKT1)、白细胞介素-1β(IL-1β)等为核心靶点.GO功能注释与KEGG富集分析结果提示靶点主要参与炎症反应、氧化应激调控及晚期糖基化终末产物及其受体(AGE-RAGE)等信号通路.网络分析表明,槲皮素、柚皮素、山奈酚、7-甲氧基-2-甲基异黄酮和芒柄花素为关键活性成分.分子对接显示上述成分与核心靶点具有较强结合能力.结论 二陈汤的主要活性物质槲皮素、柚皮素、山奈酚、7-甲氧基-2-甲基异黄酮、芒柄花素主要通过介导IL-6、TNF、AKT1、IL-1β等关键靶点调控炎症反应、氧化应激以及AGE-RAGE通路治疗SOM.
Objective To systematically explore the potential active ingredients,key therapeutic targets,and molecular mechanism of Erchen Decoction in the treatment of secretory otitis media(SOM)based on network pharmacology and molecular docking techniques.Methods The main ac-tive ingredients and predicted targets of Erchen Decoction were screened through the TCMSP database.SOM-related targets were obtained from the DisGeNET,GeneCards,and OMIM databases.The inter-secting targets were used to construct a protein-protein interaction(PPI)network and screen for core targets.Gene ontology(GO)functional annotation and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis were employed to elucidate their biological functions.A"tradi-tional Chinese medicine-active ingredient-target"network was constructed to screen for major active in-gredients,and molecular docking was performed to validate the interactions between core targets and key ingredients.Results A total of 87 common targets between Erchen Decoction and SOM were identified.PPI network analysis revealed that interleukin-6(IL-6),tumor necrosis factor(TNF),protein kinase B(AKT1),and interleukin-1 β(IL-1β)were core targets.GO functional annotation and KEGG enrichment analysis suggested that the targets were primarily involved in inflammatory responses,oxidative stress regulation,and signaling pathways such as advanced glycation end products and their receptors(AGE-RAGE).Network analysis indicated that quercetin,naringenin,kaempferol,7-me-thoxy-2-methylisoflavone,and formononetin were key active ingredients.Molecular docking demon-strated strong binding capabilities between these ingredients and the core targets.Conclusion The main active substances in Erchen Decoction,namely quercetin,naringenin,kaempferol,7-methoxy-2-methylisoflavone,and formononetin,primarily treat SOM by mediating key targets such as IL-6,TNF,AKT1,and IL-1 β to regulate inflammatory responses,oxidative stress,and the AGE-RAGE pathway.
李谨;孙轩;赵亚晗;王典;李轶
首都医科大学附属北京同仁医院耳鼻咽喉头颈外科,北京,100730首都医科大学附属北京同仁医院耳鼻咽喉头颈外科,北京,100730首都医科大学附属北京同仁医院耳鼻咽喉头颈外科,北京,100730首都医科大学附属北京同仁医院耳鼻咽喉头颈外科,北京,100730首都医科大学附属北京同仁医院耳鼻咽喉头颈外科,北京,100730
医药卫生
二陈汤分泌性中耳炎网络药理学分子对接晚期糖基化终末产物及其受体信号通路炎症介质氧化应激
Erchen Decoctionsecretory otitis medianetwork pharmacologymolecular doc-kingadvanced glycation end products and their receptorssignaling pathwayinflammatory media-toroxidative stress
《实用临床医药杂志》 2026 (7)
9-13,26,6
国家重点研发计划重点专项项目(2023YFC2410205)
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