基于网络药理学和分子对接探讨胃复春治疗慢性浅表性胃炎作用机制  

Exploration of Mechanism of Weifuchun for Chronic Superficial Gastritis Based on Network Pharmacology and Molecular Docking

作　　者：俞雯雯 康年松 岑迎东 王丹[2] 傅厚道[3] YU Wenwen;KANG Niansong;CEN Yingdong;WANG Dan;FU Houdao(Yuyao Hospital of Traditional Chinese Medicine,Yuyao Zhejiang 315400,China;College of Life Sciences and Medicine,Zhejiang Sci-Tech University,Hangzhou Zhejiang 310018,China;Ningbo No.2 Hospital,Ningbo Zhejiang 315010,China)

机构地区：[1]余姚市中医医院,浙江余姚315400 [2]浙江理工大学生命科学与医药学院,浙江杭州310018 [3]宁波市第二医院,浙江宁波315010

出　　处：《新中医》2024年第9期206-214,共9页New Chinese Medicine

基　　金：宁波市医学科技计划项目(2022Y51);浙江省中医药科技计划科研基金项目(2022ZB336)。

摘　　要：目的:基于网络药理学探讨胃复春(WFC)治疗慢性浅表性胃炎(CSG)的分子机制。方法:采用中药系统药理学数据库与分析平台(TCMSP)、中药综合资源数据库(TCMID)及SwissTargetPrediction网站检索WFC的相关化学成分及其对应的作用靶点;利用GeneCard数据库、OMIM数据库筛选CSG的作用靶点,通过韦恩在线网站获取WFC与CSG的交集靶点,并通过Cytoscape 3.7.2软件构建蛋白互作网络图;根据拓扑学参数查找WFC治疗CSG的核心靶点,运用Cytoscape 3.7.2软件构建成分-核心靶点网络图筛选WFC作用于CSG的关键成分。利用David网站对交集靶点进行基因本体论(GO)和京都基因与基因组百科全书数据库(KEGG)通路富集分析,采用R软件绘制可视化气泡图。通过SYBYL-X2.1.1软件对WFC治疗CSG的主要活性成分及关键靶点进行分子对接。结果:WFC治疗CSG的关键成分为人参皂苷Rh2、柚皮素、14-乙酰基-耐阴午茶菜素b、β-谷甾醇等,关键靶点有白细胞介素-6(IL-6)、肿瘤坏死因子(TNF)、苏氨酸蛋白激酶1(AKT1)、血管内皮生长因子A(VEGFA)、抑癌基因53(TP53)等。WFC治疗CSG主要作用于癌症信号通路、脂质与动脉粥样硬化信号通路、卡波西肉瘤相关疱疹病毒感染等信号通路,其功能主要有参与RNA聚合酶Ⅱ启动子转录的正调控、信号转导及细胞凋亡过程的负调控,在蛋白质结合、ATP结合方面起重要作用等。分子对接结果显示,WFC中的关键成分14-乙酰基-耐阴午茶菜素b、人参皂苷Rh2、川陈皮素与关键靶点IL-6、AKT1、VEGFA的结合活性较强。结论:WFC可能通过调节IL-6、TNF、AKT1等靶点治疗CSG,其作用机制与癌症信号通路,脂质与动脉粥样硬化信号通路密切相关。Objective:To explore the molecular mechanism of Weifuchun(WFC)for chronic superficial gastritis(CsG)based on network pharmacology.Methods:The relevant chemical components and corresponding targets of WFC were searched by using Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP),Traditional Chinese Medicine Integrated Database(TCMID)and Website of SwissTargetPrediction.The targets of CSG were screened by using GeneCard and OMIM databases,the intersection targets of WFC and CSG were obtained through the online website of Venny,and a protein-protein interaction network diagram was constructed by using Cytoscape 3.7.2 software.Based on topological parameters,the core targets of WFC were identified for treating CSG,and a component core target network diagram was constructed to screen the key components of WFC acting on CSG by using Cytoscape 3.7.2 software.The pathway enrichment analysis of gene ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)on intersection targets was performed by utilizing David website,and visual bubble charts were drew by using R language.The molecular docking on the main active ingredients and key targets of WFC treating CSG Was performed by using SYBYL-X2.1.1 software.Results:The key components of WFC for CSG were ginsenoside Rh2,naringenin,14-acetylumbrosin b,β-sitosterol,and the key targets included interleukin-6(IL-6),tumor necrosis factor(TNF),threonine kinase 1(AKT1),vascular endothelial growth factor A(VEGFA),and tumor suppressor gene 53(TP53),etc..WFC treating CSG mainly acted on cancer signaling pathway,lipid and atherosclerosis signaling pathway,Kaposi sarcoma associated herpesvirus infection and other signaling pathways.Its function was mainly to participate in the positive regulation of RNA polymerase Il promoter transcription,signal transduction and negative regulation of cell apoptosis,and played an important role in protein binding and ATP binding.The molecular docking results showed that the key components in WFC,such as 14-acetyl

关 键 词：慢性浅表性胃炎 胃复春 网络药理学 分子对接 作用机制 

分 类 号：R573.3[医药卫生—消化系统]