基于网络药理学探究棘豆止咳散防治慢性阻塞性肺疾病的机制研究

Mechanism of Jidou Zhike Powder in Treatment of Chronic Obstructive Pulmonary Disease Based on Network Pharmacology

目的:采用网络药理学方法研究棘豆止咳散(JDZKS)治疗慢性阻塞性肺疾病(COPD)的作用机制。方法:利用数据库、基因芯片等预测JDZKS治疗COPD的靶点,构建成分-治疗靶点(C-T)网络、治疗-疾病靶点(T-D)网络并计算网络贡献指数、Degree、Betweenness和Closeness筛选主要核心成分和靶点。对治疗靶点进行富集分析,最后对核心成分和靶点分子对接验证。结果:预测得到治疗靶点116个,根据网络贡献指数、Degree、Closeness和Betweenness筛选C-T和T-D网络得到2个核心成分和5个核心靶点。GO和KEGG分析显示JDZKS从炎症、氧化应激、细胞凋亡、抗感染、营养代谢等方面防治COPD,组织富集分析显示治疗靶点富集于多个器官组织。分子对接结果表明核心成分与核心靶点间具有较强的结合力。结论:JDZKS治疗COPD具有多成分、多靶点的特点,理论上可以从多角度、多层次防治COPD。

Objective:To explore the mechanism of Jidou Zhike Powder(JDZK)in the treatment of chronic obstructive pulmonary disease(COPD)by network pharmacology.Methods:Therapeutic targets of JDZK on COPD were predicted by the databases and gene microarray.According to the calculation of contribution index,degree,betweenness,and closeness,the core compounds and therapeutic targets were chosen in the compound-target network(C-T)and the target-disease(T-D)network.Furthermore,therapeutic targets underwent enrichment analysis.Finally,the binding capacity between the core compounds and targets was verified by molecular docking.Results:A total of 116 therapeutic targets were obtained by prediction.In addition,two core compounds and five core targets were obtained in the C-T network and the T-D network according to the contribution index,degree,betweenness,and closeness.Furthermore,GO and KEGG analyses indicated that JDZK acted on COPD from inflammation,oxidative stress,cell apoptosis,infection resistance,and nutrition metabolism.Tissue enrichment analysis indicated that the therapeutic targets were enriched in multiple organs and tissues.Molecular docking results manifested excellent binding capacity between core compounds and core targets.Conclusion:JDZK treatment of COPD is characterized by multiple components and targets,which can prevent and cure COPD at multiple levels theoretically.