{"_":"理性设计新型GABA受体抑制剂作为潜在杀虫剂用于防治小菜蛾和亚洲玉米螟。","i":["Plutella xylostella","Ostrinia furnacalis"]}
{"_":"Rational Design of Novel GABA Receptor Inhibitors as Potential Insecticides against and .","i":["Plutella xylostella","Ostrinia furnacalis"]}
摘要(中文译文)
农药过度使用已导致广泛的杀虫剂抗性。异噁唑啉类代表了一种有前景的骨架结构，具有安全性和有效性，且不存在交叉抗性。此前，我们鉴定出对……具有中等活性的衍生物。基于其与GABA受体的结合模式，设计并合成了30个新型衍生物。随后通过三维定量构效关系（3D-QSAR）优化得到了……，其表现出增强的杀虫活性（对……的LC₅₀ = 0.751 mg/L，对……的LC₅₀ = 0.581 mg/L），优于氟噁虫酰胺。……还对……表现出良好活性（LC₅₀ = 2.35 mg/L）。盆栽实验验证了其防治效果。酶联免疫吸附测定（ELISA）证实GABA受体为其靶标，而密度泛函理论（DFT）计算和分子对接表明，二酰胺部分与GABA受体提供了更多的氢键和卤键相互作用，这与效力的提高相一致。值得注意的是，……对熊蜂、斑马鱼和小鼠肝细胞表现出安全性。本研究为开发下一代杀虫剂提供了思路。
Abstract
Pesticide overuse has prompted widespread insecticide resistance. Isoxazolines represent a promising scaffold, featuring safety and efficacy without having any cross-resistance. Previously, we identified the derivative with moderate activity against . Based on its binding mode with the GABA receptor, 30 novel derivatives were designed and synthesized. Subsequent three-dimensional quantitative structure-activity relationship (3D-QSAR) optimization yielded , which showed enhanced insecticidal activity (LC = 0.751 mg/L against and 0.581 mg/L against ), outperforming fluxametamide. also showed good activity against (LC = 2.35 mg/L). Potted experiments validated its control efficacy. Enzyme-linked immunosorbent assay (ELISA) confirmed the GABA receptor as the target, while density functional theory (DFT) computations and molecular docking demonstrated that the diamide moiety provides more hydrogen and halogen bond interactions with the GABA receptor, consistent with improved potency. Notably, showed safety toward bumblebees, zebrafish, and mouse liver cells. This work provides insights for developing the next-generation insecticides.
如何引用
AMA
Zhangyan Feng, Yuquan Li, Gefei Hao, Biaobiao Jiang, Yawen Dong. {"_":"Rational Design of Novel GABA Receptor Inhibitors as Potential Insecticides against and .","i":["Plutella xylostella","Ostrinia furnacalis"]}. Journal of agricultural and food chemistry. 2026; doi:10.1021/acs.jafc.5c14194.
APA
Zhangyan Feng, Yuquan Li, Gefei Hao, Biaobiao Jiang, Yawen Dong (2026). {"_":"Rational Design of Novel GABA Receptor Inhibitors as Potential Insecticides against and .","i":["Plutella xylostella","Ostrinia furnacalis"]}. Journal of agricultural and food chemistry. https://doi.org/10.1021/acs.jafc.5c14194
GB/T 7714
Zhangyan Feng, Yuquan Li, Gefei Hao, Biaobiao Jiang, Yawen Dong. {"_":"Rational Design of Novel GABA Receptor Inhibitors as Potential Insecticides against and .","i":["Plutella xylostella","Ostrinia furnacalis"]}[J]. Journal of agricultural and food chemistry, 2026 doi:10.1021/acs.jafc.5c14194.
在 PubMed增强版 阅读全文
翻译全文 · AI 文献问答 · PDF 原文下载 · 引用导出