基于网络药理学的威灵仙抗结直肠癌分子机制研究

目的:基于网络药理学方法探讨威灵仙抗结直肠癌可能的分子机制。方法:通过TCMSP数据库挖掘获取威灵仙活性成分,限定口服利用度(OB)和类药性(DL)数值对威灵仙活性成分进行筛选。利用TCMSP搜索威灵仙相关靶基因,GeneCards数据库收集与结直肠癌相关的基因,采用Cytoscape Version 3.7.1软件,构建威灵仙活性成分-抗结直肠癌靶点网络。使用String数据库构建蛋白质相互作用网络。使用Bioconductor数据库对威灵仙抗结直肠癌作用靶点进行基因本体(GO)富集分析与KEGG通路分析,以探究威灵仙抗结直肠癌的作用机制。结果:收集到57种化合物,经筛选和分析获得威灵仙活性成分7个,涉及抗结直肠癌作用靶点30个,关键靶点包括CASP3、JUN、ADRA1B、MAOA等。GO功能富集分析得到GO条目55个,KEGG通路富集筛选得到61条信号通路,包括凋亡通路、p53信号通路、结直肠癌信号通路等。结论:威灵仙治疗结直肠癌具有多通路、多靶点作用的特点,其具体的调控机制及关键的靶标尚待通过进一步的实验研究加以探索及验证。

Mechanism of Radix climatidis in Treatment of Colorectal Cancer Based on Network Pharmacology

Objective:To predict the targets and pathways of Radix climatidis in the treatment of colorectal cancer based on network pharmacology.Methods:TCMSP was used to search for the chemical constituents of Radix climatidis,the oral bioavailability(OB)and drug-likeness(DL)were used as indicators to screen the active components.TCMSP database was used to query the target-related genes,related targets of colorectal cancer were screened by GeneCards databases,interaction network was constructed using Cytoscape Version 3.7.1.The above data were imported into STRING database for PPI network analysis.The mechanism of its action was studied by Bioconductor database analyzing enrichment of gene ontology(GO)function and pathway enrichment analysis based on KEGG.Result:In this study,a total of 57 effective components were predicted,through the OB and DL parameters screening,7 active pharmaceutical ingredients,30 targets were obtained,and the key targets involved CASP3,JUN,ADRA1B,MAOA,etc.The functional enrichment analysis of GO obtained 55 GO items,there were 61 signal pathways in the KEGG pathway enrichment screening,involving Apoptosis,Colorectal cancer and p53 signaling pathway and so on.Conclusion:Radix climatidis has the characteristics of multi-target and multi-pathway in the treatment of colorectal cancer,however,the key targets and specific regulatory mechanisms need to be explored and verified by further experimental studies.