基于网络药理学及分子对接探讨金钱草治疗良性前列腺增生症的作用机制  

Exploring the mechanism of the treatment of benign prostatic hyperplasia by Lysimachia christinae using network pharmacology and molecular docking

作　　者：马阔 韩广业[1] 李泽宇 张冠英 李园园 MA Kuo;HAN Guangye;LI Zeyu;ZHANG Guanying;LI Yuanyuan(Department of Urology,The First Affiliated Hospital of Xinxiang Medical College,Xinxiang 453100,China)

机构地区：[1]新乡医学院第一附属医院泌尿外科,新乡453100

出　　处：《天津医科大学学报》2025年第2期105-110,共6页Journal of Tianjin Medical University

基　　金：河南省医学科技攻关计划联合共建项目(LHGJ20220607)。

摘　　要：目的:通过网络药理学及分子对接探讨金钱草治疗良性前列腺增生症(BPH)的作用机制。方法:查询中药系统药理学数据库与分析平台(TCMSP)筛选金钱草的药物成分,使用靶点预测数据库(Swiss Target Prediction)预测药物成分的作用靶点;运用人类基因数据库(GeneCards)获取BPH的疾病靶点,利用venny 2.1获取交集靶点。使用STRING进行蛋白-蛋白相互作用(PPI)分析并使用Cytoscape构建网络图,利用Metascape进行基因本体富集(GO)和京都基因与基因组百科全书富集(KEGG)分析。使用Cytoscape软件制作“药物-靶点-通路”的网络图。结果:数据分析后得到金钱草的效成分8个,调节多条通路、干预65个疾病靶点以治疗BPH,其中槲皮素、山奈酚、异鼠李素、金合欢素等是金钱草的核心成分,蛋白激酶B(Akt 1)、丝裂原活化蛋白激酶(MAPK)1、TP53、BCL2是金钱草治疗BPH的核心靶点。基因富集结果显示相关的生物过程主要涉及对激素反应、细胞对脂质反应、腺发育、对缺氧反应、对氧气反应、对类固醇激素反应、程序性细胞死亡正调控、凋亡正向调节、对活性氧反应等;细胞组分主要涉及转录调控复合体、小窝、质膜筏、膜筏、膜微区、囊腔和RNA聚合酶Ⅱ转录调控复合物等;分子功能主要涉及核受体活性、配体激活转录因子活性、转录共调节因子结合、转录辅激活子结合、核类固醇受体活性、雌激素反应元件结合、一般转录起始因子结合、类固醇结合、RNA聚合酶Ⅱ一般转录起始因子结合和腺苷三磷酸酶结合等。通路富集分析结果提示金钱草主要通过晚期糖基化终末产物-晚期糖基化终末产物受体(AGE-RAGE)、磷脂酰肌醇3激酶(PI3K)-Akt、低氧诱导因子(HIF)-1等信号通路调节BPH。结论:金钱草的多个成分能够调节多个靶蛋白,并调控多条信号通路而治疗BPH。Objective:To explore the mechanism of the treatment of benign prostatic hyperplasia(BPH)by Lysimachia christinae using network pharmacology and molecular docking.Methods:Traditional Chinese Medicine System Pharmacology Database and Analysis Platform(TCMSP)was queried to screen the drug constituents of Lysimachia christinae,and Swiss Target Prediction was used to predict the action target of drug constituents.GeneCards was used to obtain disease targets for BPH,and venny 2.1 was used to ob-tain intersection targets.Protein-protein interaction(PPI)analysis was performed using STRING and network diagram was constructed using Cytoscape.Gene Ontology Enrichment(GO)and Kyoto Encyclopedia of Genes and Genomes Enrichment(KEGG)analysis was performed using Metascape.A drug-target-pathway network map was constructed using Cytoscape software.Results:The 8 active components of Lysimachia christinaewere identified,interveningin 65 disease targets in the treatment of BPH through multiple pathways.Quercetin,kaempferol,isorhamnetin,and acacetin were the core components of Lysimachia christinae,while AKT1,MAPK1,TP53,BCL2 were critical targets of Lysimachia christinae for treating BPH.The results of gene enrichment analysis showed that the biological processes most likely related to intersection genes mainly involved the response to hormones,cell response to lipids,glandular development,response to hypoxia,response to oxygen levels,response to steroid hormones,positive regulation of programmed cell death,positive regulation of apoptosis process,response to reactive oxygen species,etc.The cell components mainly involved transcriptional regulatory complex,fossa,plasma membrane raft,membrane raft,membrane microregion,capsule cavity,RNA polymeraseⅡtranscriptional regulatory complex,etc.The molecular functions mainly involved nuclear receptor activity,ligand-activated transcription factor activity,transcription coregulatory factor binding,transcription coactivator binding,nuclear steroid receptor activity,estrogen response element bin

关 键 词：金钱草 良性前列腺增生症 网络药理学 分子对接 作用机制 

分 类 号：R697.3[医药卫生—泌尿科学]