网络药理学和分子对接联合分析蝉花抗肺癌作用机制

Combined analysis of network pharmacology and molecular docking on the anti-lung cancer mechanism of Cordyceps cicadae Shing

目的探讨名贵中药蝉花的抗肺癌作用机制。方法通过检索TCMSP、Symmap、SwissTargetPrediction、GeneCards、PubChem等数据库,使用Cytoscape 3.7.2、AutoDock、Pymol等软件开展网络药理学和分子对接分析。结果筛选到4个重要成分和326个潜在靶点。京都基因与基因组百科全书富集靶点数较高的信号通路包括癌症通路、化学致癌-受体激活、神经活性配体-受体相互作用和炎症介质对瞬时受体电位通道的调节等。分子对接验证了4个重要成分和4个关键靶点可自发结合。结论蝉花作用于机体后通过过氧化物酶体增生激活受体、前列腺素内过氧化物合成酶2、淀粉样前体蛋白和蛋白激酶cAMP激活的催化亚基α等关键靶点对肺癌进行干预。

Objective To explore the anti-lung cancer mechanism of Cordyceps cicadae Shing.Methods By searching databases such as TCMSP,Symmap,SwissTargetPrediction,GeneCards,PubChem,and using software such as Cytoscape 3.7.2,AutoDock and Pymol,network pharmacology analysis and molecular docking analysis were carried out.Results Four important components and 326 potential targets were screened.Signal pathways with higher number of Kyoto encyclopedia of genes and genomes enrichment targets include cancer pathway,chemical carcinogenesis-receptor activation,neuroactive ligand-receptor interaction and inflammatory mediator regulation of transient receptor potential channel.Molecular docking verified that four important components and four key targets could spontaneously bind.Conclusion After the Cordyceps cicadae Shing acts on the body,it intervenes in lung cancer through key targets such as peroxisome proliferative activated receptor,prostaglandinendoperoxide synthase 2,recombinant amyloid precursor protein and protein kinase cAMP-activated catalytic subunit alpha.