摘要
[目的]试验旨在研究肉桂醛(cinnamaldehyde)与乙酰胆碱酯酶(acetylcholinesterase,AChE)的相互作用机制,揭示肉桂醛通过抑制AChE产生起到杀虫作用。[方法]试验利用荧光光谱分析不同温度下(20、25、30℃)肉桂醛对AChE的猝灭作用,并通过数学方程计算猝灭参数和热力学参数以解释荧光猝灭机理。采用荧光光谱法分析金属离子对肉桂醛和AChE结合作用的影响。通过紫外可见光谱分析肉桂醛对AChE构象的影响和猝灭类型。利用分子对接分析肉桂醛和AChE的结合位点和作用力。[结果]肉桂醛对AChE呈现荧光猝灭作用,猝灭类型为静态猝灭;肉桂醛和AChE的结合过程是自发的、放热的,有1个结合位点,结合作用力为范德华力或氢键;同步荧光和三维荧光表明,肉桂醛可猝灭AChE并改变其构象。分子对接显示肉桂醛和AChE的氨基酸残基形成范德华力;金属离子K^(+)、Ca^(2+)和Fe^(2+)抑制肉桂醛和AChE结合,Cu^(2+)、Mg^(2+)、Na^(+)和Zn^(2+)促进肉桂醛和AChE结合。[结论]肉桂醛和AChE会自发结合,主要结合作用力是范德华力,影响了AChE的空间构象。本试验可为肉桂醛杀虫作用机制研究提供理论支持。
[Aims]The aim of this study is to investigate the interaction mechanism between cinnamaldehyde and acetylcholinesterase(AChE),and reveal the insecticidal effect of cinnamaldehyde by inhibiting AChE.[Methods]The quenching effect of cinnamaldehyde on AChE at different temperatures(20,25 and 30℃)was analyzed by fluorescence spectroscopy,and the quenching parameters and thermodynamic parameters were calculated by mathematical equations to explain the fluorescence quenching mechanism.The effect of metal ions on the binding of cinnamaldehyde and AChE was calculated by fluorescence spectroscopy.The effects of cinnamaldehyde on AChE conformation and quenching type were analyzed by UV-Vis spectroscopy.The binding sites and forces of cinnamaldehyde and AChE were analyzed by molecular docking.[Results]Cinnamaldehyde exhibited fluorescence quenching effect on AChE,and the quenching type was static quenching.The binding process of cinnamaldehyde and AChE was spontaneous and exothermic.There was a binding site,and the binding force was van der Waals force or hydrogen bond.Synchronous fluorescence and three-dimensional fluorescence studies showed that cinnamaldehyde could quench AChE and change its conformation.Molecular docking showed that cinnamaldehyde and amino acid residue in AChE formed van der Waals.The metal ions K+,Ca^(2+)and Fe^(2+)inhibited the binding of cinnamaldehyde and AChE,while Cu^(2+),Mg^(2+),Na^(+)and Zn^(2+)promoted the binding of cinnamaldehyde and AChE.[Conclusions]Cinnamaldehyde and AChE could bind spontaneously mainly by van der Waals force,which affected the spatial conformation of AChE.The experiments can provide theoretical support for the study of the insecticidal mechanism of cinnamaldehyde.
作者
金银利
马全朝
韩昊纬
郭文秀
周洲
陈利军
JIN Yinli;MA Quanchao;HAN Haowei;GUO Wenxiu;ZHOU Zhou;CHEN Lijun(Xinyang Agriculture and Forestry University,Xinyang 464000,Henan,China)
出处
《农药》
北大核心
2025年第12期911-919,共9页
Agrochemicals
基金
河南省自然科学基金(232300420030)
河南省卓越农林人才教育基地建设项目(教高[2022]214号)
河南省大别山实验室重点课题(DMLP006)。
关键词
肉桂醛
乙酰胆碱酯酶
光谱
金属离子
分子对接
cinnamaldehyde
acetylcholinesterase
spectrum
metal ion
molecular docking
