基于网络药理学研究血必净注射液治疗有机磷中毒的分子机制

The molecular mechanism of Xuebijing injection for the treatment of organophosphorus pesticide poisoning based on network pharmacology

目的基于网络药理学探讨血必净注射液治疗有机磷中毒的分子机制。方法通过TCMSP数据库查询并筛选出血必净注射液中5味中药的活性成分及靶点;检索GeneCards、OMIM数据库获取有机磷中毒相关靶点;利用Venny2.1统计复方成分与疾病的交集靶点制作韦恩图。采用Cytoscape3.7软件制作“活性成分-交集靶点”的网络框架图。将交集靶点导入String数据库后获得蛋白-蛋白相互作用网络图。通过DAVID数据库进行基因功能的基因本体(GO)分析和京都基因与基因组百科全书(KEGG)通路富集分析,并利用R-studio软件进行柱状图绘制。结果共收集血必净注射液中活性成分125个,可作用于217个靶点,有机磷中毒的交集核心靶点69个。69个靶点主要作用于AKT1、ALB、CAT、CASP3、JUN、VEGFA等基因,调控IL-17信号通路、流体剪切应力和动脉粥样硬化通路、肿瘤坏死因子信号通路等信号通路。结论血必净注射液治疗有机磷中毒具有多成分、多靶点、多通路的特点,本研究为治疗有机磷中毒的潜在网络作用机制提供了新的线索。

Objective To study the molecular mechanism of Xuebijing injection for the treatment of organophosphorus pesticide poisoning(OPP)by applying network pharmacological analysis technology.Methods The TCMSP database was used to query and screen out the active ingredients and effective targets of a total of 5 traditional Chinese medicines of Xuebijing injection.The two major disease targets-GeneCards and online mendelian inheritance in man(OMIM)query OPP targets were retrieved.Venny 2.1 was used to count intersection targets of compound and disease,and a Venn diagram was drawn.The active ingredient-intersection target network diagram was drawn using Cytoscape 3.7 software.The data obtained after the intersection targets were imported into the String database were used to construct a protein interaction network map.Gene function gene ontology(GO)analysis and Kyoto encyclopedia of genes and genomes(KEGG)pathway enrichment analysis were performed through the DAVID database,and Bar graphs were drawn using R-studio software.Results A total of 125 active ingredients were identified in Xuebijing injection and 217 related targets were predicted,among which 69 targets were compounded with disease.The 69 targets mainly act on target genes such as AKT1,ALB,CAT,CASP3,JUN,and VEGFA and regulation signal pathways such as IL-17,fluid shear stress and atherosclerosis,and tumor mecrosis factor play a role in treating OPP.Conclusion Xuebijing injection has multi-component,multi-target,and multi-system characteristics in treating OPP.The research results provide a new clue for studies on the treatment mechanism of OPP.