Dehydroeffusol (DHE) is a phenanthrene isolated from the Chinese medicinal plant Juncus effusus. Biological evaluation of DHE reveals in vitro and in vivo anticancer effects. We performed a shotgun proteomic analysis using liquid chromatography–tandem mass spectrometry to investigate the changes in the protein profiles in cancer cells upon DHE treatment. DHE affected cancer-associated signaling pathways, including NF-κB, β-catenin, and endoplasmic reticulum stress. Through quantitative pathway and key node analysis of the proteomics data, activating transcription factor 2 (ATF-2) and c-Jun kinase (JNK) were found to be the key components in DHE’s modulated biological pathways. Based on the pathway analysis as well as chemical similarity to estradiol, DHE is proposed to be a phytoestrogen. The proteomic, bioinformatic, and chemoinformatic analyses were further verified with individual cell-based experiments. Our study demonstrates a workflow for identifying the mechanisms of action of DHE through shotgun proteomic analysis.

中文翻译：

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gun弹枪蛋白质组学和脱氢effusol的作用机理的定量途径分析，dehydroeffusol是一种具有抗癌活性的Juncus effusus生物活性植物化学物质

Dehydroeffusol（DHE）是从中草药Juncus effusus中分离出的菲。DHE的生物学评估揭示了体外和体内的抗癌作用。我们使用液相色谱-串联质谱进行了gun弹枪蛋白质组学分析，以研究DHE处理后癌细胞中蛋白质谱的变化。DHE影响与癌症相关的信号通路，包括NF-κB，β-catenin和内质网应激。通过蛋白质组学数据的定量途径和关键节点分析，发现激活转录因子2（ATF-2）和c-Jun激酶（JNK）是DHE调控生物途径的关键组成部分。基于途径分析以及与雌二醇的化学相似性，DHE被认为是一种植物雌激素。蛋白质组学，生物信息学和化学信息学分析已通过基于单个细胞的实验得到了进一步验证。