去甲去氢斑蝥素酰亚胺缩茴香醛的荧光性质  

STUDY ON THE FLUORESCENT PROPERTIES OFMETHOTREOTHECINIMIDE ANISALDEHYDE

作　　者：汤富 曾造 王继杉 顾熙 谢美 吴雷 Tang Fu;Zeng Zao;Wang Jisha;Gu Xi;Xie Mei;Wu Lei(Guizhou Institute of Engineering and Applied Technology,School of Chemical Engineering,Bijie 551700,Guizhou,China;Gui Provincial Key Laboratory of Applied Chemistry,Bijie 551700,Guizhou,China)

机构地区：[1]贵州工程应用技术学院化学工程学院,贵州毕节551700 [2]贵州省应用化学特色重点实验室,贵州毕节551700

出　　处：《精细石油化工》2022年第6期64-68,共5页Speciality Petrochemicals

基　　金：大学生创新创业项目(202110668035)。

摘　　要：以呋喃和顺丁烯二酸酐为原料,经双烯反应、胺化和胺醛缩合一系列反应得到目标化合物,经NMR测定其结构。利用荧光光谱法结合分子对接技术研究其与HSA的相互作用原理。结果表明:目标化合物对HSA的猝灭过程为静态荧光猝灭,猝灭常数为3.104 2×10^(4) L/mol(293 K),3.030 4×10^(4) L/mol(303 K),3.121 3×10^(4) L/mol(313 K);去甲去氢斑蝥素酰亚胺缩茴香醛与HSA主要以疏水作用力结合,分子对接得出也有部分基团以氢键结合;结合位点数为1.1674;荧光实验所得结合能(-26.93 kJ/mol, 313 K)与分子模拟对接所得结合能(-26.69 kJ/mol)相近。Furan and maleic anhydride were used as raw materials to obtain the target compound by a series of reactions such as diene reaction,amination and amine condensation,and its structure was determined by NMR.The interaction principle between the methotreothecinimide anisaldehyde and HSA was studied by fluorescence spectroscopy and molecular docking technology.The results show that the quenching process of the target compound to HSA is static fluorescence quenching,and the quenching constants are 3.10^(4)2×10^(4),3.0304×10^(4) L/mol,and 3.1213×10^(4) L/mol at 293,303 K and 313 K,respectively;the experiment shows that the methotreothecinimide anisaldehyde and HSA are mainly bound by hydrophobic force,and some groups are also bound by hydrogen bonds after molecular docking;the number of binding sites is 1.1674;the binding energy obtained from the experiment(-26.93 kJ/mol)is close to that(-26.69 kJ/mol)obtained by molecular simulation docking.

关 键 词：去甲去氢斑蝥素 HSA 分子模拟对接技术 荧光性质 

分 类 号：R979.19[医药卫生—药品]