Development of an Enhanced Mechanistically Driven Mode of Action Classification Scheme for Adverse Effects on Environmental Species,Environmental Science & Technology

当前位置： X-MOL 学术 › Environ. Sci. Technol. › 论文详情

Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)

Development of an Enhanced Mechanistically Driven Mode of Action Classification Scheme for Adverse Effects on Environmental Species
Environmental Science & Technology ( IF 10.8 ) Pub Date : 2021-01-21 , DOI: 10.1021/acs.est.0c06551
Maria Sapounidou ₁ , David J. Ebbrell ₁ , Mark A. Bonnell ₂ , Bruno Campos ₃ , James W. Firman ₁ , Steve Gutsell ₃ , Geoff Hodges ₃ , Jayne Roberts ₃ , Mark T. D. Cronin ₁

Affiliation

This study developed a novel classification scheme to assign chemicals to a verifiable mechanism of (eco-)toxicological action to allow for grouping, read-across, and in silico model generation. The new classification scheme unifies and extends existing schemes and has, at its heart, direct reference to molecular initiating events (MIEs) promoting adverse outcomes. The scheme is based on three broad domains of toxic action representing nonspecific toxicity (e.g., narcosis), reactive mechanisms (e.g., electrophilicity and free radical action), and specific mechanisms (e.g., associated with enzyme inhibition). The scheme is organized at three further levels of detail beyond broad domains to separate out the mechanistic group, specific mechanism, and the MIEs responsible. The novelty of this approach comes from the reference to taxonomic diversity within the classification, transparency, quality of supporting evidence relating to MIEs, and that it can be updated readily.

中文翻译：

对环境物种的不利影响的增强的机械驱动的作用方式分类方案的开发

这项研究开发了一种新颖的分类方案，可将化学物质分配给（生态）毒理学作用的可验证机制，以便进行分组，交叉阅读和计算机模拟模型生成。新的分类方案统一并扩展了现有方案，其核心是直接引用促进不良结果的分子引发事件（MIE）。该方案基于毒性作用的三个广泛领域，分别代表非特异性毒性（例如麻醉作用），反应性机制（例如亲电子和自由基作用）和特异性机制（例如与酶抑制有关）。该计划在三个更详细的层次上进行了组织，超出了广泛的领域，以将机制组，特定机制和负责的MIE分开。这种方法的新颖性来自在分类，透明度，与MIE相关的支持证据的质量方面对分类学多样性的引用，并且可以很容易地对其进行更新。

更新日期：2021-02-02

点击分享查看原文

点击收藏

公开下载

阅读更多本刊最新论文本刊介绍/投稿指南11