cis-Nitenpyram Analogues Containing 1,4-Dihydropyridine: Synthesis, Insecticidal Activities, and Molecular Docking Studies
- ISSN号:1001-604X
- 期刊名称:《中国化学:英文版》
- 时间:0
- 分类:S816.7[农业科学—饲料科学;农业科学—畜牧学;农业科学—畜牧兽医] TQ453.299[化学工程—农药化工]
- 作者机构:[1]College of Life and Environment Sciences, Shanghai Normal University, Shanghai 200234, China, [2]Bioassay Department, Branch of National Pesticide R&D South Center, Hangzhou, Zhejiang 310023, China
- 相关基金:Supporting information for this article is available on the WWW under http://dx.doi.org/10.1002/cjoc.201200165.Acknowledgement This work was supported by the National Natural Science Foundation of China (21042010, 21102092 and 30870560), the Key Scientific "Twelfth Five-Year" National Technology Support Program (2011BAE06B0117), the Innovation Project of Shanghai Education Commission (12YZ078), the Leading Academic Discipline Project of Shanghai Normal University (DZL808), Shanghai Key Laboratory of Rare Earth Functional Materials, Shanghai Normal University (07dz22303). We are also grateful for the support from Branch of National Pesticide R&D South Center.
关键词:
烯啶虫胺, 二氢吡啶, 杀虫活性, 分子对接, 类似物, 顺式, 合成, X-射线衍射, cis-nitenpyram analogue, 1,4-dihydropyridine, synthesis, insecticidal acvitity, molecular docking
中文摘要:
cis-nitenpyram 类似物(2a2p ) 的一个新奇系列被设计并且由介绍 1,4-dihydropyridine 准备了,与他们 X 光检查衍射证实的 cis 配置。初步的生物鉴定证明大多数混合物对蚜虫属 medicagini 在 20 mg/L 展出了好杀虫的活动,并且类似物 2a 和 2d 负担得起最好的活动,并且他们俩在 4 mg/L 有 100% 死亡。另外,分子的停靠研究也被执行为 ligand 受体建筑群建模,并且结果解释了在 vitro 观察的结构活动关系,它可以为新杀虫药剂的未来设计提供一些有用信息。
英文摘要:
A novel series of cb-nitenpyram analogues (2a--2p) were designed and prepared by introducing the 1,4-dihydropyridine, with their eis-configuration confirmed by X-ray diffraction. Preliminary bioassays showed that most compounds exhibited good insecticidal activities at 20 mg/L against Aphis medicagini, and analogues 2a and 2d aflbrded the best activity, and both of them had 100% mortality at 4 mg/L. In addition, molecular docking studies were also performed to model the ligand-receptor complexes, and the results explained the structure-activity relationships observed in vitro, which may provide some useful information for future design of new insecticides.