基于网络药理学探究老香黄主要化学成分对肠炎的改善机制  

To Explore the Mechanism of the Main Chemical Components of Laoxianghuang on the Improvement of Enteritis Based on Network Pharmacology

作　　者：陈桂滨 唐耿秋 洪程铭 Chen Guibin;Tang Gengqiu;Hong Chengming(Guangdong Chaozhou Health Vocational College,Chaozhou 521000,China)

机构地区：[1]广东潮州卫生健康职业学院,广东潮州521000

出　　处：《广东化工》2024年第23期60-62,65,共4页Guangdong Chemical Industry

摘　　要：目的:运用网络药理学和分子对接的方法探究老香黄防治炎症性肠病(IBD)的作用机制。方法:通过文献检索收集并在TCMSP数据库、Swiss Target Prediction数据库筛选老香黄的活性成分,预测潜在靶点;通过GeneCard数据库及韦恩图获取IBD与活性成分重合靶点,并运用String数据库及Cytoscape软件构建PPI网络,筛选核心成分以及靶点;利用David数据库进行KEGG分析;最后利用Autodock vina软件将核心靶点以及活性成分进行分子对接。结果:第八年的老香黄活性成分共20种,其中5种核心成分为金圣草素、山萘酚、7-羟基香豆素、5,7-二甲氧基香豆素、诺米林;10个核心靶点为EGFR、SRC、AKT1等,主要参与PI3K-AKT、MAPK、EGFR等信号通路。分子对接结果验证关键活性成分与核心靶点可自发结合。结论:老香黄可能通过多成分、多靶点和多通路,调控免疫炎症、细胞增殖、分化及凋亡,从而减少炎症反应、修复肠屏障,治疗IBD。这为老香黄在肠道性疾病中的进一步发展和应用提供了理论基础。Objective:To explore the mechanism of Laoxanghuang in the prevention and treatment of inflammatory bowel disease by network pharmacology and molecular docking.Methods:The active constituents and potential targets of Laoxianghuang were screened in TCMSP database and Swiss Target Prediction database through literature retrieval.The coincidental targets of the active ingredient and IBD were obtained by GeneCard database and Venn diagram,and the PPI network was constructed by String database and Cytoscape software to screen the core components and targets.Use David database and R language for KEGG analysis;Finally,Autodock vina software was used to perform molecular docking between the core target and the active ingredient.Results:There were 20 active components in the eighth year of the laoxiang Huang,among which 5 core ingredients were Chrysocerin,Kaempferol,7-hydroxycoumarin,5,7-Dimethoxycoumarin and Nomilin.The 10 core targets were EGFR,SRC,AKT1,etc.It is mainly involved in PI3K-AKT,MAPK,EGFR and other signaling pathways.The results of molecular docking verified that the key active ingredient could spontaneously bind to the core target.Conclusion:Laoxiang Huang may regulate immune inflammation,cell proliferation,differentiation and apoptosis through multiple components,multiple targets and multiple pathways,thereby reducing inflammatory response and repairing intestinal barrier,and achieving the treatment of inflammatory bowel disease.This provides a theoretical basis for the further development and application of Laoxiang Huang in intestinal diseases.

关 键 词：老香黄 IBD 食药两用 PI3K-AKT 金圣草素 7-羟基香豆素 

分 类 号：TQ[化学工程]