马齿苋治疗特应性皮炎分子机制的网络药理学研究

Network Pharmacology Study on the Molecular Mechanisms of Portulaca Oleracea in the Treatment of Atopic Dermatitis

目的基于网络药理学和分子对接技术探寻马齿苋治疗特应性皮炎的分子机制。方法从TCMSP数据库中检索马齿苋的药物化学成分。从PubChem数据库和SwissTargetPredicton数据库检索马齿苋化学成分的作用靶点,从GeneCards数据库中检索特应性皮炎及相关的过敏性疾病的靶点,通过计算得到上述两者的共同靶点,进行一系列计算包括GO和KEGG富集等,并用Discovery Studio进行分子对接预测。选择特应性皮炎实验常用的HaCaT细胞和RAW264.7细胞进行实验。结果马齿苋的有效化学成分有48种;马齿苋与特应性皮炎共有靶点20个;GO富集结果显示,生物学功能相关有101项,细胞成分相关有18项,分子功能相关28项。KEGG信号通路富集的有75项。分子对接预测图显示药物成分与靶点蛋白分子对接效果良好。结论马齿苋可以通过多个靶点的通路来治疗特应性皮炎。

Objective:To explore the molecular mechanism of Portulaca oleracea in the treatment of atopic dermatitis with network pharmacology and molecular docking technology.Methods:The chemical constituents of Portulaca oleracea were retrieved from TCMSP database.Pubchem database and Swisstargetpredicton database were searched for the action targets of the chemical components of Portulaca oleracea,simultaneously for the targets of atopic dermatitis and related allergic diseases from Genecards database,then calculated the common targets of the above two groups of data.A series of calculations were carried out,including GO enrichment and KEGG,and molecular docking prediction was conducted with Discovery Studio.HaCaT cells and RAW264.7 cells,which were commonly used in atopic dermatitis experiments,were selected for the experiment.Results:There were 48 kinds of effective chemical constituents in Portulaca oleracea.There were 20 common chemical targets between Portulaca oleracea and atopic dermatitis.The GO enrichment results showed that there were 101 items related to biological functions,18 items related to cell components,and 28 items related to molecular functions.There were 75 signal pathways enriched by KEGG.The molecular docking prediction map showed that the docking effect of drug components and target protein molecules would be good.Conclusion:Portulaca oleracea can treat atopic dermatitis through multiple target pathways.