School of Pharmacy, Kaohsiung Medical University, Kaohsiung, 80708, Taiwan.
Department of Medical Research, Kaohsiung Medical University Hospital, Kaohsiung, 80708, Taiwan.
Sci Rep. 2018 Jul 3;8(1):10047. doi: 10.1038/s41598-018-28361-6.
The assessment of bioactivity and toxicity for mixtures remains a challenging work. Although several computational models have been developed to accelerate the evaluation of chemical-chemical interaction, a specific biological endpoint should be defined before applying the models that usually relies on clinical and experimental data. The development of computational methods is desirable for identifying potential biological endpoints of mixture interactions. To facilitate the identification of potential effects of mixture interactions, a novel online system named ChemDIS-Mixture is proposed to analyze the shared target proteins, and common enriched functions, pathways, and diseases affected by multiple chemicals. Venn diagram tools have been implemented for easy analysis and visualization of interaction targets and effects. Case studies have been provided to demonstrate the capability of ChemDIS-Mixture for identifying potential effects of mixture interactions in clinical studies. ChemDIS-Mixture provides useful functions for the identification of potential effects of coexposure to multiple chemicals. ChemDIS-Mixture is freely accessible at http://cwtung.kmu.edu.tw/chemdis/mixture .
混合物的生物活性和毒性评估仍然是一项具有挑战性的工作。尽管已经开发了几种计算模型来加速化学-化学相互作用的评估，但在应用这些模型之前，应该定义特定的生物学终点，这些终点通常依赖于临床和实验数据。开发计算方法对于识别混合物相互作用的潜在生物学终点是可取的。为了促进混合物相互作用潜在影响的识别，提出了一个名为 ChemDIS-Mixture 的新型在线系统，用于分析多个化学物质共享的靶蛋白和常见的富集功能、途径和疾病。已经实现了 Venn 图工具，用于方便地分析和可视化相互作用的靶标和影响。提供了案例研究，以证明 ChemDIS-Mixture 用于识别临床研究中混合物相互作用潜在影响的能力。ChemDIS-Mixture 为识别多种化学物质共存暴露的潜在影响提供了有用的功能。ChemDIS-Mixture 可在 http://cwtung.kmu.edu.tw/chemdis/mixture 免费访问。
