基于网络药理学探究归芪益母汤防治牛气血两虚的物质基础及作用机制
Exploring material basis and mechanism of Guiqi Yimu decoction in preventing and treating qi and blood deficiency of cattle based on network pharmacology
刘雪松 1孟维珊 1张艳 1薛沾枚 1王爽 1张国华 2姚爽 2钟鹏2
作者信息
- 1. 黑龙江省农业科学院畜牧兽医分院,黑龙江齐齐哈尔 161005;黑龙江省兽用药物重点实验室,黑龙江齐齐哈尔 161005
- 2. 黑龙江省农业科学院畜牧兽医分院,黑龙江齐齐哈尔 161005
- 折叠
摘要
试验旨在研究传统中兽药归芪益母汤防治牛气血两虚的物质作用基础和具体作用机制.试验通过中药系统药理学数据库与分析平台(TCMSP)筛选出传统中兽药方剂归芪益母汤的有效活性成分及相应靶点,通过网络药理学获得药物-疾病交集靶点,建立靶点蛋白互作网络.根据度值筛选出核心靶点及主要活性成分,对核心靶点进行GO功能及KEGG信号通路富集分析,获得前10信号通路.试验应用Cytoscape 3.8.2软件建立归芪益母汤防治牛气血两虚的主要活性成分-核心靶点-前10信号通路网络,应用Autodock 1.5.7软件将有效成分与核心靶点进行分子对接.结果显示:共筛选得到归芪益母汤主要有效活性成分11个,核心靶点16个;通过GO功能分析,共获得117个GO条目,通过KEGG信号通路富集分析,共获得92条信号通路.在主要活性成分-核心靶点-前10信号通路网络图中,平均相邻节点数为5.78,网络中心度为0.18;主要有效活性成分与核心靶点的分子对接能均小于-7 kcal/mol.研究表明,传统中兽药归芪益母汤发挥防治牛气血两虚的作用具有良好的物质基础及多有效活性成分、多靶点、多通路的作用机制.
Abstract
The study aimed to obtain the material basis and mechanism of Guiqi Yimu decoction to prevent and treat the deficiency of both qi and blood in cattle.The experiment screened out the effective active ingredients and corresponding targets of Guiqi Yimu decoction through the traditional Chinese medicine systems pharmacology(TCMSP)database.The durg-disease intersection targets were obtained through network pharmacology analysis.The targets protein interaction network was established and core targets and main active ingredients were screened out based the degree values.The GO function and KEGG signal pathway enrichment analysis of core targets were carried out and the top 10 signal pathways were obtained.The Cytoscape 3.8.2 software was used to establish the main active ingredients-core targets-top 10 signal pathway network of Guiqi Yimu decoction.The Autodock 1.5.7 software was used to conduct molecular docking between active ingredients and core targets.The results showed that 11 main ingredients of Guiqi Yimu decotion and 16 core targets were screened out.Through GO functional analysis,a total of 117 GO items were obtained,and through KEGG signaling pathway enrichment analysis,a total of 92 signaling pathways were obtained.In the network of the main active ingredient-core targe-top 10 signaling pathway,the average number of adjacent nodes was 5.78,and the network centrality was 0.18.The molecular docking energies of the main active ingredients and the core targetswere all less than-7 kcal/mol.The results indicated that the Guiqi Yimu decoction had a good material basis and mechanism of action with multiple effective active ingredients,targets,and pathways in preventing and treating the deficiency of qi and blood in cattle.
关键词
网络药理学/分子对接/归芪益母汤/信号通路Key words
network pharmacology/molecular docking/Guiqi Yimu decoction/signal pathway引用本文复制引用
基金项目
黑龙江省农业科学院畜牧兽医分院2022年自拟课题(ZNKT-202207)
出版年
2024
国家科技期刊平台
NSTL
万方数据