Erianin is a major bisbenzyl compound extracted from Dendrobium chrysotoxum Lindl., an important traditional Chinese herb. In recent years, a growing body of evidence has proved the potential therapeutic effects of erianin on various cancers, including hepatoma, melanoma, non-small-cell lung carcinoma, myelogenous leukemia, breast cancer, and osteosarcoma. Especially, the pharmacological activities of erianin, such as antioxidant and anticancer activity, have been frequently demonstrated by plenty of studies. In this study, we firstly conducted a systematic review on reported anticancer activity of erianin. All updated valuable information regarding the underlying action mechanisms of erianin in specific cancer was recorded and summarized in this paper. Most importantly, based on the molecular structure of erianin, its potential molecular targets were analyzed and predicted by means of the SwissTargetPrediction online server (http://www.swisstargetprediction.ch). In the meantime, the potential therapeutic targets of 10 types of cancers in which erianin has been proved to have anticancer effects were also predicted via the Online Mendelian Inheritance in Man (OMIM) database (http://www.ncbi.nlm.nih.gov/omim). The overlapping targets may serve as valuable target candidates through which erianin exerts its anticancer activity. The clinical value of those targets was subsequently evaluated by analyzing their prognostic role in specific cancer using Kaplan-Meier plotter (http://Kmplot.com/analysis/) and Gene Expression Profiling Interactive Analysis (GEPIA) (http://gepia.cancer-pku.cn/). To better assess and verify the binding ability of erianin with its potential targets, molecular flexible docking was performed using Discovery Studio (DS). The valuable targets obtained from the above analysis and verification were further mapped to the Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway using the Database for Annotation, Visualization and Integrated Discovery (DAVID) (http://david.abcc.ncifcrf.gov/) to explore the possible signaling pathways disturbed/regulated by erianin. Furthermore, the in silico prediction of absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties of erianin was also performed and provided in this paper. Overall, in this study, we aimed at 1) collecting all experiment-based important information regarding the anticancer effect and pharmacological mechanism of erianin, 2) providing the predicted therapeutic targets and signaling pathways that erianin might act on in cancers, and 3) especially providing in silico ADMET properties of erianin.

毛兰素是一种主要的双苄基化合物，提取自金黄石斛灵芝，一种重要的中药材。近年来，越来越多的证据证明毛兰素对多种癌症具有潜在的治疗作用，包括肝癌、黑色素瘤、非小细胞肺癌、骨髓性白血病、乳腺癌和骨肉瘤。特别是毛兰素的抗氧化和抗癌活性等药理活性已被大量研究证实。在这项研究中，我们首先对已报道的毛兰素抗癌活性进行了系统评价。本文记录并总结了有关毛兰素在特定癌症中的潜在作用机制的所有更新的有价值信息。最重要的是，基于毛兰素的分子结构，http://www.swisstargetprediction.ch）。同时，还预测了毛兰素被证明具有抗癌作用的10种癌症的潜在治疗靶点。通过在线人类孟德尔遗传（OMIM）数据库（http://www.ncbi.nlm.nih.gov/omim）。重叠的靶标可作为有价值的靶标候选物，毛兰素通过它发挥其抗癌活性。随后通过使用 Kaplan-Meier 绘图仪分析它们在特定癌症中的预后作用来评估这些靶标的临床价值。http://Kmplot.com/analysis/) 和基因表达谱交互分析 (GEPIA) (http://gepia.cancer-pku.cn/）。为了更好地评估和验证毛兰素与其潜在靶标的结合能力，使用 Discovery Studio (DS) 进行了分子柔性对接。从上述分析和验证中获得的有价值的目标被进一步映射到京都基因和基因组百科全书（KEGG）路径，使用数据库注释、可视化和集成发现（DAVID）（http://david.abcc.ncifcrf.gov/) 探索可能被毛兰素干扰/调节的信号通路。此外，该计算机本文还对毛兰素的吸收、分布、代谢、排泄和毒性 (ADMET) 特性进行了预测。总体而言，在这项研究中，我们的目标是 1) 收集所有基于实验的关于毛兰素的抗癌作用和药理机制的重要信息，2) 提供毛兰素可能在癌症中作用的预测治疗靶点和信号通路，以及 3) 特别是提供计算机毛兰素的 ADMET 特性。