1-(4-甲氧基苯基)-3-(2-噻吩基)-2-丙烯酮与牛血清白蛋白的相互作用研究  

Study on the Interaction Between 1-(4-Methoxyphenyl)-3-(2-thienyl)-2-propen-one and Bovine Serum Albumin

作　　者：王会镇 赵雨 姚小军[2] 刘家琴 WANG Hui-zhen;ZHAO Yu;YAO Xiao-jun;LIU Jia-qin(School of Science,Xihua University,Chengdu 610039,China;Department of Chemistry,Lanzhou University,Lanzhou 730000,China)

机构地区：[1]西华大学理学院,四川成都610039 [2]兰州大学化学学院,甘肃兰州730000

出　　处：《化学试剂》2021年第11期1569-1574,共6页Chemical Reagents

基　　金：教育部春晖计划项目(191630);四川省教育厅项目(18ZB0571);西华大学高性能计算四川省重点实验室项目(szjj2016-053)。

摘　　要：在模拟生理条件下,采用荧光光谱法和分子对接法研究了1-(4-甲氧基苯基)-3-(2-噻吩基)-2-丙烯酮(MOTPO)与BSA的结合机理,结果表明BSA与MOTPO之间为静态荧光淬灭过程,得到了BSA与MOTPO之间相互作用的结合常数和热力学数据,结合常数(K_(a))的数量级为10^4,疏水及静电相互作用在BSA与MOTPO之间的相互作用中起着重要作用。根据共振能量转移的F9rster理论计算得MOTPO和BSA之间的结合距离(r)<7 nm。进一步研究了在280 nm和295 nm激发波长下的荧光淬灭过程:MOTPO的主要结合位点位于BSA的亚结构域ⅡA(位点Ⅰ)中;MOTPO与BSA的结合可以诱导BSA中的构象变化。进一步讨论了常见金属离子对BSA-MOTPO复合物结合常数的影响,表明金属离子的存在可能会影响MOTPO的作用结果。MOTPO可以与BSA的亚结构域ⅡA结合,疏水和极性起了关键作用。Under imitated physiological conditions, 1-(4-methoxyphenyl)-3-(2-thienyl)-2-propen-one(MOTPO) can quench the fluorescence of bovine serum albumin(BSA).The fluorescence spectrometric methods and molecular docking approach were employed to investigate the binding mechanism of MOTPO to BSA.The static fluorescence-quenching process between BSA and MOTPO was confirmed and the binding constant and thermodynamic data for the interaction between BSA and MOTPO were also obtained.The order of magnitude of binding constant(Ka) was 104,and hydrophobic, electrostatic interactions played important role on the conjugation reaction between BSA and MOTPO.Based on the Forster theory of the resonance energy transfer, the binding distance(r) between MOTPO and BSA was less than 7 nm.Comparing the quenching of protein fluorescence excited at 280 nm and 295 nm, the primary MOTPO binding site was in the sub-domain ⅡA(site Ⅰ) of BSA.Synchronous fluorescence spectra clearly revealed that the binding of MOTPO with BSA can induce conformation changes in BSA.The effects of common metal ions on the binding constants of BSA-MOTPO complex were also discussed, which showed that the presence of metal ions may influence the MOTPO efficacy.MOTPO can bind with the sub-domain ⅡA of BSA and hydrophobic and polar interactions are the key acting force.

关 键 词：1-(4-甲氧基苯基)-3-(2-噻吩基)-2-丙烯酮 牛血清白蛋白 结合机理 荧光 金属离子 分子对接 

分 类 号：O657.3[理学—分析化学]