State Key Laboratory of NBC Protection for Civilian, Beijing 102205, China.
Molecules. 2023 Jun 19;28(12):4846. doi: 10.3390/molecules28124846.
Novel nereistoxin derivatives containing phosphonate were synthesized and characterized via P, H and C NMR and HRMS. The anticholinesterase activity of the synthesized compounds was evaluated on human acetylcholinesterase (AChE) using the in vitro Ellman method. Most of the compounds exhibited good inhibition of acetylcholinesterase. All of these compounds were selected to assess their insecticidal activity (in vivo) against Walker, Sulzer and . Most of the tested compounds displayed potent insecticidal activity against these three species. Compound displayed good activity against all three insect species, showing LC values of 136.86 μg/mL for , 138.37 μg/mL for and 131.64 μg/mL for . Compound had the highest activity against and , with LC values of 42.93 μg/mL and 58.19 μg/mL, respectively. Docking studies were performed to speculate the possible binding sites of the compounds and explain the reasons for the activity of the compounds. The results showed that the compounds had lower binding energies with AChE than with the acetylcholine receptor (AchR), suggesting that compounds are more easily bound with AChE.
通过 P、H 和 C NMR 以及高分辨率质谱（HRMS）合成并表征了含有膦酸酯的新型神经毒素衍生物。使用体外 Ellman 法评估了合成化合物对人乙酰胆碱酯酶（AChE）的抗胆碱酯酶活性。大多数化合物对乙酰胆碱酯酶表现出良好的抑制作用。所有这些化合物都被选择来评估它们对 Walker、Sulzer 和 的杀虫活性（体内）。大多数测试的化合物对这三种昆虫均表现出很强的杀虫活性。化合物 对所有三种昆虫均表现出良好的活性，对 、 和 的 LC 值分别为 136.86μg/mL、138.37μg/mL 和 131.64μg/mL。化合物 对 和 的活性最高，LC 值分别为 42.93μg/mL 和 58.19μg/mL。进行了对接研究，以推测化合物的可能结合位点，并解释化合物活性的原因。结果表明，与乙酰胆碱受体（AchR）相比，化合物与 AChE 的结合能更低，这表明化合物更容易与 AChE 结合。
