a Faculty of Pharmacy and Pharmaceutical Sciences , Monash Institute of Pharmaceutical Sciences, Monash University , Australia.
SAR QSAR Environ Res. 2017 Aug;28(8):621-628. doi: 10.1080/1062936X.2017.1359666. Epub 2017 Aug 11.
Drug-likeness has long been studied in the pursuit of finding new medicines. Similarly, in the agrochemical field there is value in exploring the properties of the chemicals involved. Patterns that emerge can potentially influence future discovery campaigns to improve the probability of commercial success. In this study we investigate the acid/base properties and physicochemical characteristics of three classes of compounds: fungicides, herbicides and insecticides. In comparison with FDA-approved drugs, it was noted that the pesticides were generally smaller, possessed a neutral charge state and were more lipophilic. The results are discussed in the light of their intended targets.
药物相似性在寻找新药的过程中一直受到研究。同样，在农业化学领域，探索相关化学物质的性质也具有价值。出现的模式可能会影响未来的发现活动，提高商业成功的可能性。在这项研究中，我们研究了三类化合物的酸碱性质和物理化学特性：杀菌剂、除草剂和杀虫剂。与 FDA 批准的药物相比，人们注意到这些农药通常更小，带中性电荷，更亲脂性。结果根据其预期目标进行了讨论。
