School of Life Sciences, University of Warwick, UK.
Department of Pesticide Science, College of Crop Protection, Nanjing Agricultural University, P.R. China.
J Exp Bot. 2018 Jan 4;69(2):265-275. doi: 10.1093/jxb/erx258.
Herbicides are an important asset in ensuring food security, especially when faced with an ever-increasing demand on food production to feed the global population. The current selection of herbicides is increasingly encountering resistance in agricultural weeds they once targeted effectively. It is imperative that new compounds or more effective modes of action are discovered in order to overcome this resistance. This cheminformatics review looks at current herbicides and evaluates their physiochemical properties on a class-by-class basis. We focus in particular on the synthetic auxin herbicides, Herbicide Resistance Action Committee class O, analyzing these against herbicides more generally and for class-specific features such as mobility in plant vasculature. We summarise the physiochemical properties of all 24 compounds used commercially as auxins and relate these results to ongoing approaches to novel auxin discovery. We introduce an interactive, open source cheminformatics tool known as DataWarrior for herbicide discovery, complete with records for over 300 herbicidal compounds. We hope this tool helps researchers as part of a rational approach to not only auxin discovery but agrochemical discovery in general.
除草剂是确保食品安全的重要手段，尤其是在面对不断增长的全球人口对粮食生产的需求时。目前使用的除草剂在曾经有效针对的农业杂草中越来越多地遇到了抗药性。为了克服这种抗药性，必须发现新的化合物或更有效的作用模式。这篇化学信息学综述考察了目前的除草剂，并按类别评估了它们的物理化学性质。我们特别关注合成生长素除草剂，即除草剂抗药性行动委员会 O 类，分析它们与更广泛的除草剂的关系，以及在植物维管束中的移动性等特定类别的特征。我们总结了所有 24 种商业上用作生长素的化合物的物理化学性质，并将这些结果与正在进行的新型生长素发现方法相关联。我们引入了一个名为 DataWarrior 的交互式、开源化学信息学工具，用于除草剂发现，其中包含超过 300 种除草剂化合物的记录。我们希望这个工具可以帮助研究人员，作为一种理性的方法的一部分，不仅是生长素的发现，还有一般的农用化学品的发现。
