瓜蒌薤白半夏汤治疗慢性萎缩性胃炎的网络药理学机制探讨  

A study on network pharmacological mechanism of the Gualou Xiebai Banxia decoction in treating chronic atrophic gastritis

作　　者：王芳 王睿[2] 李晶晶 胡子朝 李一芳 WANG Fang

机构地区：[1]安徽中医药大学第一临床医学院,安徽合肥230038 [2]安徽中医药大学第一附属医院,安徽合肥230031 [3]安徽中医药大学护理学院,安徽合肥230012

出　　处：《中医临床研究》2023年第29期1-7,共7页Clinical Journal Of Chinese Medicine

基　　金：安徽省教育厅高校自然科学研究重点项目(KJ2020A0445)。

摘　　要：目的:通过网络药理学方法探讨瓜蒌薤白半夏汤治疗慢性萎缩性胃炎的活性成分,并对其作用机制进行研究。方法:首先,利用中药系统药理学数据库与分析平台(TCMSP)筛选瓜蒌、薤白、半夏的有效成分及其作用靶点。然后,利用GeneCards和OMIM数据库,检索与慢性萎缩性胃炎有关的靶点,利用Cytoscape 3.7.2软件建立活性成分-靶点结构图,并对其中的主要成分进行筛选,利用STRING数据库对交集靶点进行蛋白质交互作用的研究,并对其进行了初步的筛选。最后,选用Metascape和Wiscape网站对基因本体论(GO)和京都基因与基因组百科全书(KEGG)通路富集进行研究。结果:研究结果显示,瓜蒌薤白半夏汤治疗慢性萎缩性胃炎的关键成分是槲皮素、β-谷甾醇、柚皮素等。丝氨酸/苏氨酸蛋白激酶1(Akt Serine/Threonine Kinase 1,AKT1)、肿瘤坏死因子(Tumor Necrosis Factor,TNF)、白细胞介素(Interleukin,IL)-6是其核心靶点。GO富集过程包含1323个生物过程、50个细胞组成、95个分子功能,其中KEGG通路主要有癌症信号通路、IL-13信号通路、糖尿病并发症中晚期糖基化终末产物(Advanced Glycation End Products,AGE)-AGE受体(Receptor for AGE,RAGE)信号通路等。分子对接结果显示,瓜蒌薤白半夏汤中的关键成分均能与核心靶点进行自发结合,其结合能均≤-5.0 kcal/mol。结论:瓜蒌薤白半夏汤具有多种成分、多个靶点、多条通路等作用,本研究对今后治疗慢性萎缩性胃炎机制的阐明具有指导意义。Objective:To investigate the active components of the Gualou Xiebai Banxia decoction(瓜蒌薤白半夏汤)in the treatment of chronic atrophic gastritis(CAG)by network pharmacology method,and analyze the mechanism of its occurrence.Methods:Firstly,the effective components and targets of Gualou(Fructus Trichosanthis),Xiebai(Bulbus Allii Macrostemonis)and Banxia(Rhizoma Pinelliae)were screened using the Traditional Chinese Medicine Systematic Pharmacology Database and AnalysisO Platform(TCMSP),and the targets related to chronic atrophic gastritis were found using the GeneCards and OMIM databases.Then,Cytoscape 3.7.2 software was used to establish the component-target structure map.The main components were screened,and the protein interaction of the intersection targets was studied by STRING database,and the preliminary screening was carried out.Finally,Metascape and Wiscape websites were used to study the GO and KEGG pathway enrichment.Results:Quercetin,β-sitosterol,naringin were the key ingredients of the Gualou Xiebai Banxia decoction in the treatment of chronic atrophic gastritis.AKT1,tumor necrosis factor,interleukin-6 were its core targets.GO enrichment process included 1323 biological processes,50 cell components and 95 molecular functions.Among them,the KEGG pathway is mainly expressed in the following ways:cancer signaling pathway,IL-13 signaling pathway,AGE-RAGE signaling pathway in diabetic complications,etc..Molecular docking results showed that the key components in the Gualou Xiebai Banxia decoction could spontaneously bind to the core target,and their binding energies were all≤-5.0 kcal/mol.Conclusion:The Gualou Xiebai Banxia decoction has multiple components,multiple targets and multiple pathways,which has a guiding significance for elucidating the mechanism of treating chronic atrophic gastritis in the future.

关 键 词：网络药理学 慢性萎缩性胃炎 瓜蒌薤白半夏汤 作用机制 

分 类 号：R256.3[医药卫生—中医内科学]