基于网络药理学研究珍珠通络丸对帕金森病的作用机制

The Mechanism of Zhenzhu Tongluo Pill in the Treatment of Parkinson′s Disease based on Network Pharmacology

目的:通过网络药理学和分子对接技术预测蒙药珍珠通络丸治疗帕金森病(PD)的机制。方法:利用TCMSP数据库筛选珍珠通络丸主要活性成分及其可能的作用靶点。利用OMIM、GeneCards、TTD网站获得PD的疾病靶点。利用Venny 2.1.0网站绘制Venny图,并通过STRING网站获得蛋白互作(PPI)网络图。利用微生信网站进行基因本体(GO)及京都基因与基因组百科全书(KEGG)富集分析。结果:按照筛选标准,珍珠通络丸的主要活性成分有112种,可能用于治疗PD的靶点有199个;KEGG富集通路发现珍珠通络丸治疗PD主要通过脂质和动脉粥样硬化、肿瘤坏死因子、IL-17、PI3K-AKT、细胞凋亡等信号通路;分子对接结果显示槲皮素、山柰酚、木樨草素、β-谷甾醇、黄芩素等有效化合物都能与AKT1、JUN、TNF、PRKACA等核心蛋白良好的结合。结论:珍珠通络丸改善PD的作用机制可能是与调控AKT1、JUN、TNF、PRKACA等靶蛋白的活性有关,为研究珍珠通络丸治疗PD的活性成分和分子机制提供依据。

Objective:To predict the molecular mechanism of Mongolian medicine Zhenzhu Tongluo Pill in treating Parkinson′s disease(PD)through network pharmacology and molecular docking.Methods:The Main active ingredients and potential targets of action of Zhenzhu Tongluo Pill were screened through TCMSP database.The targets of Parkinson′s disease were obtained through OMIM,GeneCards,and TTD websites.Venny diagrams were drawn using Venny 2.1.0 website and protein-protein interaction(PPI)network diagrams were obtained through STRING website.GO function analysis and KEGG enrichment analysis was performed using the microbiome website.Results:According to the screening criteria,112 main active ingredients were screened in Zhenzhu Tongluo Pill,involving 199 potential targets for treating PD.The KEGG enrichment pathway showed that Zhenzhu Tongluo Pill treated PD mainly through lipid and atherosclerosis,tumor necrosis factor,IL-17,PI3K-AKT,and cell apoptosis signal pathways.The molecular docking results showed that effective compounds such as quercetin,kaempferol,meltein,β-sitosterol and baicalein could all bind well with core proteins such as AKT1,JUN,TNF,PRKACA.Conclusion:The mechanism of Zhenzhu Tongluo Pill on treating PD may be related to regulating the activity of target proteins,such as AKT1,JUN,TNF,PRKACA,which will provide a basis for studying the active component and molecular mechanism of Zhenzhu Tongluo Pill in treatment for PD.