农药学学报Issue(1)：37-48,12.DOI:10.16801/j.issn.1008-7303.2016.0004
香豆素类化合物对朱砂叶螨的触杀活性及定量构效关系研究
Study on acaricidal bioactivity and quantitative structure activity relationship of coumarin compounds against Tetranychus cinnabarinus Bois. (Acari：Tetranychidae)
摘要
Abstract
The acaricidal bioactivities of 25 representative coumarin compounds were evaluated by slide-dip method and a quantitative structure-activity relationship (QSAR) model with strong predictive ability was established. The acaricidal assay results showed that all the tested compounds exhibited high contact activity againstTetranychus cinnabarinusand the contact activity increased with prolongation of treatment time. The 48 h LC50 values of 8 compounds [3-(2-benzimidazolyl)-7-(diethylamino)coumarin (1), 3- (2- benzothiazolyl)-7-(diethylamino)coumarin (2), 3-aminocoumarin (3), 3-acetylcoumarin (4), 4- methoxycoumarin (5), 6-nitrocoumarin (8), 6,7-dimethoxy coumarin (13), 7,8-dihydroxy- coumarin (21)] were less than 1 000 mg/L. The acaricidal activities of compouds1, 2, 3, 5 and 13were higher or comparable to 98.32% spirodiclofen TC. The 48 h and 72 h LC50 values of the compound with the highest acaricidal activity (13) were 284.8 and 122.2 mg/mL respectively. The acaricidal activity againstT. cinnabarinus of compound13 was two fold higher than that of spiro-diclofen. 34 physicochemical parameters of the above mentioned 25 coumarin compounds were calculated and used to build a QSAR model. SPSS Stepwise Regression analysis method was applied, without correlation and correcting. And the Stretch-Bend Dipole, Dipole, Total Energy and Molecular Radius were taken as independent variables in the model. This model has a strong predictive ability with R = 0.987,R2 = 0.967 andF = 155.176.关键词
香豆素类化合物/朱砂叶螨/触杀活性/定量构效关系(QSAR)Key words
coumarin compounds/Tetranychus cinnabarinus/acaricidal bioactivity/quantitative structure-activity relationship分类
农业科技引用本文复制引用
章冰川,罗金香,赖婷,王丹,丁伟,张永强..香豆素类化合物对朱砂叶螨的触杀活性及定量构效关系研究[J].农药学学报,2016,(1):37-48,12.基金项目
国家自然科学基金(31272058和31572041)；中央高校基本科研业务费专项资金资助(XDJK2014C183) （31272058和31572041）
