Key Laboratory of Environmental and Viral Oncology, College of Life Science and Chemistry, Faculty of Environment and Life, Beijing University of Technology, Beijing 100124, China.
National Engineering Laboratory for Advanced Municipal Wastewater Treatment and Reuse Technology, College of Environmental and Chemical Engineering, Faculty of Environment and Life, Beijing University of Technology, Beijing 100124, China.
Int J Mol Sci. 2021 Aug 9;22(16):8557. doi: 10.3390/ijms22168557.
Nitroaromatic compounds (NACs) are ubiquitous in the environment due to their extensive industrial applications. The recalcitrance of NACs causes their arduous degradation, subsequently bringing about potential threats to human health and environmental safety. The problem of how to effectively predict the toxicity of NACs has drawn public concern over time. Quantitative structure-activity relationship (QSAR) is introduced as a cost-effective tool to quantitatively predict the toxicity of toxicants. Both OECD (Organization for Economic Co-operation and Development) and REACH (Registration, Evaluation and Authorization of Chemicals) legislation have promoted the use of QSAR as it can significantly reduce living animal testing. Although numerous QSAR studies have been conducted to evaluate the toxicity of NACs, systematic reviews related to the QSAR modeling of NACs toxicity are less reported. The purpose of this review is to provide a thorough summary of recent QSAR studies on the toxic effects of NACs according to the corresponding classes of toxic response endpoints.
硝芳烃化合物（NACs）由于其广泛的工业应用而在环境中无处不在。NACs 的抗降解性导致其难以降解，从而对人类健康和环境安全带来潜在威胁。如何有效地预测 NACs 的毒性问题一直受到公众关注。定量构效关系（QSAR）被引入作为一种经济有效的工具来定量预测毒物的毒性。经合组织（OECD）和化学品注册、评估、授权和限制法规（REACH）都提倡使用 QSAR，因为它可以大大减少活体动物测试。尽管已经进行了许多 QSAR 研究来评估 NACs 的毒性，但关于 NACs 毒性的 QSAR 建模的系统评价报告较少。本综述的目的是根据相应的毒性反应终点类别，对 NACs 毒性的最新 QSAR 研究进行全面总结。
