基于网络药理学探讨五子衍宗丸防控神经管畸形的分子机制

To investigate the molecular mechanism of Wuzi Yanzong Pill in prevention and control of Neural Tube Defects based on Network Pharmacology

目的 基于网络药理学探讨五子衍宗丸(WYP)防控神经管畸形(NTDs)的物质基础及作用机制。方法 应用中药系统药理学分析平台(TCMSP)筛选WYP中的全部活性成分,并结合相关文献加以补充。借助UniPort数据库查询活性成分对应靶标蛋白,再结合Pubchem数据库和Swiss Target Prediction分析平台相互补充。应用GeneCards数据库筛选NTDs的靶点;通过在线Venn获得WYP-NTDs的共同靶点。将得到的结果导入Cytoscape软件中进行可视化分析,构建PPI网络,筛选核心靶点。采用Metascape数据库对核心靶点进行GO分析和KEGG相关通路富集。结果 共获得WYP中的有效活性成分73种,潜在靶点550个,NTDs靶点1937个,得到共同靶点220个。对WYP防控NTDs的靶点和活性成分进行分析,获得以槲皮素(quercetin)、五味子甲素(Schisandrin A)、山奈酚(kaempferol)等为主的34个关键活性成分,以及以AKT1、TP53、VEGFA等为主的38个核心靶点。GO功能富集分析筛得生物学过程(BP)、细胞组成(CC)、分子功能(MF)分别为20条、10条及14条;KEGG信号通路富集分析结果表明主要与癌症通路、乙型肝炎和PI3K/Akt信号通路等有关。结论 通过网络药理学研究发现,WYP防控NTDs的信号通路除癌症相关通路和乙型肝炎外,主要是与PI3K/Akt信号通路密切相关。

Objective To investigate the material basis and mechanism of Wuzi Yanzong pill(WYP) in the prevention and control of neural tube defects(NTDs) based on network pharmacology.Methods All the active components in WYP were screened by TCMSP,and supplemented by related literature.Then,PubChem database and Swiss Target Prediction analysis platform were combined to complement each other.GeneCards database was used to screen NTDs targets.The common target of WYP-NTDs was obtained through online VENN.The obtained results were imported into Cytoscape software for visual analysis,and PPI network was constructed to screen core targets.Metascape database was used for GO analysis and KEGG related pathway enrichment of core targets.Results A total of 73 active components,550 potential targets and 1937 NTDs targets were obtained from WYP,and 220 common targets were obtained.By analyzing the targets and active components of WYP for NTDs prevention and control,34 key active components,including quercetin,Schisandrin A and kaempferol,were obtained.And 38 core targets including Akt1,TP53 and VEGFA.Biological process(BP),cellular component(CC) and molecular function(MF) were 20,10 and 14,respectively,according to GO functional enrichment analysis.KEGG signaling pathway enrichment analysis showed that it was mainly related to cancer pathway,hepatitis B and PI3 K/Akt signaling pathway.Conclusion Through network pharmacological study,it is found that the signal pathway of WYP prevention and control of NTDs is closely related to PI3 K/Akt signal pathway except cancer related pathway and hepatitis B.