Department of Chemistry, Faculty of Education, Gifu University, Gifu, Japan.
Bioorg Med Chem Lett. 2011 Jun 15;21(12):3583-6. doi: 10.1016/j.bmcl.2011.04.107. Epub 2011 Apr 28.
This structure-activity relationship study for neonicotinoids with an N-haloacetylimino pharmacophore identifies several candidate compounds showing outstanding insecticidal potency and consequently leads to establishing their molecular recognition at an insect nicotinic receptor structural model, wherein the neonicotinoid halogen atoms (fluorine, chlorine, bromine, and iodine) variously interact with the receptor loops C-D interfacial niche via H-bonding and/or hydrophobic interactions.
本研究以 N-卤乙酰亚胺药效团为结构活性关系，对新烟碱类化合物进行了研究，确定了几种候选化合物，这些化合物表现出突出的杀虫效力，因此可以在昆虫烟碱受体结构模型中建立其分子识别，其中新烟碱类化合物的卤素原子（氟、氯、溴和碘）通过氢键和/或疏水相互作用与受体环 C-D 界面位不同程度地相互作用。
