College of Life and Environment Sciences, Shanghai Normal University, Shanghai, China.
J Agric Food Chem. 2011 May 11;59(9):4828-35. doi: 10.1021/jf1049563. Epub 2011 Apr 15.
To make further researches on the structure-activity relationships (SARs) of our previous synthesized neonicotinoid compounds, a new series of nitenpyam analogues with flexible ester arm were synthesized. Preliminary bioassays indicated that all of our newly designed nitenpyam analogues exhibited good insecticidal activity at 100 mg/L, while analogues 4c and 4d afforded the best in vitro activity, and both of them had 100% mortality at 20 mg/L. The SAR studies suggested that their insecticidal potency was dual-controlled by the length of the ester arm and the size of the ester group. In addition, the molecular docking simulations revealed that the structural uniqueness of these analogues may lead to a unique molecular recognition and binding mode, which explained the SARs observed in vitro, and shed light on the novel insecticidal mechanism of these novel nitenpyam analogues.
为了进一步研究我们之前合成的新烟碱类化合物的结构-活性关系（SARs），我们合成了一系列带有柔性酯臂的新型吡虫脒类似物。初步的生物测定表明，我们新设计的所有吡虫脒类似物在 100mg/L 时均表现出良好的杀虫活性，而化合物 4c 和 4d 的体外活性最佳，它们在 20mg/L 时的死亡率均为 100%。SAR 研究表明，它们的杀虫效力受酯臂的长度和酯基大小的双重控制。此外，分子对接模拟表明，这些类似物的结构独特性可能导致独特的分子识别和结合模式，这解释了体外观察到的 SARs，并为这些新型吡虫脒类似物的新型杀虫机制提供了线索。
