复方毛冬青治疗HSV-1感染的临床效果分析及作用机制探讨  

Analysis on the clinical efficacy of compound pubescent holly root in the treatment of HSV-1 infection and investigation on the function mechanism

作　　者：李佳乐 王青花 莫小兰 LI Jiale;WANG Qinghua;MO Xiaolan(Department of Pharmacy,Affiliated Women and Children’s Medical Center of Guangzhou Medical University,Guangdong,Guangzhou 510620,China;School of Pharmacy,Guangdong Pharmaceutical University,Guangdong,Guangzhou 510006,China)

机构地区：[1]广州医科大学附属妇女儿童医疗中心,广东广州510620 [2]广东药科大学药学院,广东广州510006

出　　处：《中国医药科学》2024年第14期4-8,49,共6页China Medicine And Pharmacy

基　　金：广东省广州市中医药和中西医结合科技项目(20222A010036);广东省医院药学研究基金(澳美基金)(2022A16)。

摘　　要：目的对复方毛冬青颗粒治疗单纯疱疹病毒Ⅰ型(HSV-1)感染的临床疗效进行分析,并通过网络药理学与分子对接探讨其作用机制。方法临床研究选取广州医科大学附属妇女儿童医疗中心2020年1月至2023年2月疱疹病毒性龈口炎患儿380例。观察组口服复方毛冬青治疗,对照组口服阿昔洛韦治疗。收集患者的一般资料,观察药物治疗效果、治疗时间等指标并进行统计。机制研究通过BATMAN-TCM数据库筛选有效活性成分及对应靶点,GeneCards数据库获得疾病靶点。运用STRING数据库和Cytoscape构建蛋白质-蛋白质相互作用(PPI)网络。DAVID数据库进行基因本体(GO)与京都基因与基因组百科全书(KEGG)通路富集分析。通过Auto Dock与Pymol将关键活性成分和核心靶点进行分子对接验证。结果复方毛冬青治疗疱疹病毒性龈口炎痊愈率高于阿昔洛韦(P<0.05)。本研究共获得复方毛冬青活性成分40种,靶点1399个,与HSV-1感染的交集靶点213个。GO功能富集得到1016个条目,KEGG通路富集分析得到174条信号通路。分子对接显示关键成分与核心靶点有较强亲和能力。复方毛冬青中的白桦脂醇、喹唑啉酮、腺苷等关键成分可能通过作用于TP53、RELA、M-APK3等核心靶点干预癌症通路、脂质与动脉粥样硬化和人T细胞白血病病毒1感染等信号通路发挥其抗HSV-1病毒感染的作用。核心成分和靶点之间的结合能力较好。结论复方毛冬青通过多种有效成分,不同的通路发挥其治疗HSV-1感染的作用,具有良好的临床运用前景和研究价值。Objective To analyze the clinical efficacy of compound pubescent holly r oot granule in the treatment of herpes simplex virus typeⅠ(HSV-1)infection,so as to investigate its function mechanism through network pharmacology and molecular docking.Methods A total of 380 pediatric patients with herpesvirus gingivitis admitted to Affiliated Women and Children’s Medical Center of Guangzhou Medical University from January 2020 to February 2023 were randomly selected for clinical research,and they were divided into the observation group and the control group.The observation group was treated with oral administration of compound pubescent holly root,while the control group was treated with oral administration of acyclovir.The general data of patients were collected,the drug treatment efficacy,treatment time and other indices were observed and statistically counted.Effective active ingredients and corresponding targets were screened by mechanism research through the BATMAN-TCM database,and disease targets were obtained through the GeneCards database.Proteinprotein interaction(PPI)network was constructed by using STRING database and Cytoscape.DAVID database was used for enrichment analysis of gene outology(GO)and Kyoto encyclopedia of genes and genomes(KEGG)pathways.The key active ingredients and core targets were verified by molecular docking with AutoDock and Pymol.Results The recovery rate of compound pubescent holly root in the treatment of herpesvirus gingivitis was higher than that of acyclovir(P<0.05).In this research,40 active ingredients of compound pubescent holly root were obtained,with 1,399 targets and 213 intersecting targets with HSV-1 infection.GO function enrichment resulted in 1,016 entries,and KEGG pathway enrichment analysis resulted in 174 signal pathways.Molecular docking showed that there was relatively strong affinity between key ingredients and core targets.Betulin,quinazolinone,adenosine and other key components in compound pubescent holly root might exert their anti-HSV-1 virus infection effects

关 键 词：复方毛冬青 单纯疱疹病毒Ⅰ型感染 网络药理学 临床疗效 作用机制 

分 类 号：R285.5[医药卫生—中药学]