The United Graduate School of Agricultural Science, Gifu University, Gifu 501-1193, Japan.
Bioorg Med Chem Lett. 2010 Oct 1;20(19):5933-5. doi: 10.1016/j.bmcl.2010.07.049. Epub 2010 Jul 16.
Substituted-phenoxycarbonylimino neonicotinoid ligands with an electron-donating group showed significantly higher affinity to the insect nicotinic receptor relative to that of the analogue with an electron-withdrawing substituent, thereby establishing in silico binding site interaction model featuring that the phenoxy ring of neonicotinoids and the receptor loop D tryptophan indole plane form a face-to-edge aromatic interaction.
具有给电子基团的取代苯氧基羰基亚氨基烟碱类配体与昆虫烟碱受体的亲和力明显高于具有吸电子取代基的类似物，从而建立了一个基于计算机的结合部位相互作用模型，其特征为新烟碱类化合物的苯氧基环和受体环 D 色氨酸吲哚平面形成面对面的芳香相互作用。
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