基于网络药理学的穿心莲抗菌分子机制研究

Molecular mechanism of Chuanxinlian against bacteria based on network pharmacology

目的:采用网络药理学方法探讨穿心莲抗菌的分子作用机制。方法:以化合物的口服生物利用度(OB)和类药性(DL)为标准,依据TCMSP数据库、Swiss Target Prediction、GeneCards和CoolGeN数据库预测和筛选穿心莲的活性成分及抗菌的作用靶点,运用Cytoscape软件绘制穿心莲活性成分与抗菌作用靶点网络图。使用String数据库和Cytoscape软件绘制蛋白相互作用网络图。采用DAVID数据库对作用靶点的GO分析和KEGG通路分析。结果:从穿心莲中筛选得到24个活性成分,作用于124个抗菌靶点。筛选出TP53、AKT1、IL6、VEGFA、JUN、EGFR、TNF等关键靶点。调节肿瘤、乙型肝炎、PI3K-Akt、雌激素、缺氧诱导因子-1(HIF-1)等信号通路。参与RNA聚合酶II启动子转录的阳性调控、凋亡过程负调控、信号转导、药物反应、细胞增殖的阳性调控、转录的阳性调节以及炎性反应等多种生物过程。结论:穿心莲中黄酮类活性成分可能是其发挥抗菌作用的物质基础,其作用机制涉及癌症转化、免疫细胞的功能激活和炎症反应等。

Objective:A network pharmacological approach was used to explore the molecular mechanism of action of Chuanxinlian as an antibacterial agent.Method:With oral bioavailability (OB) and drug-like properties (DL) of compounds as standards,the active components and antibacterial targets of Chuanxinlian were predicted and screened according to TCMSP database,Swiss Target Prediction database,GeneCards database and CoolGeN database.The network diagram of active components and antibacterial targets of Chuanxinlian was drawn by using Cytoscape software.The network diagram of protein interaction was drawing by using String database and Cytoscape software.GO analysis and KEGG pathway analysis of targets were performed via the DAVID database.Result:Twenty-four active ingredients were screened from Chuanxinlian and acted on 124 antibacterial targets.TP53,AKT1,IL6,VEGFA,JUN,EGFR,TNF and other key targets were screened out.The active ingredients regulated tumor,hepatitis B,PI3K-Akt,estrogen,hypoxia inducible factor-1(HIF-1) and other signal pathways to participate in many biological processes such as positive regulation of RNA polymerase II promoter transcription,negative regulation of apoptosis process,signal transduction,drug reaction,positive regulation of cell proliferation,positive regulation of transcription and inflammatory reaction and so on.Conclusion:Flavonoids from Chuanxinlian may be the material basis of its antibacterial action,and its mechanism involves cancer transformation,immune cell function activation and inflammatory reaction.