光谱法结合分子对接技术研究柠檬苦素与牛血清白蛋白的相互作用  

Spectroscopic Method Combined with Molecular Docking Technique to Study the Interaction of Limonin with Bovine Serum Albumin

作　　者：梁鑫富 董庆亮 LIANG Xinfu;DONG Qingliang(College of Light Industry and Food Engineering,Guangxi University,Nanning 530000,China;Food Engineering College,Beibu Gulf University,Qinzhou 535000,China;Guangxi College and University Key Laboratory of High-value Utilization of Seafood and Prepared Food in Beibu Gulf,Qinzhou 535000,China)

机构地区：[1]广西大学轻工与食品工程学院,广西南宁530000 [2]北部湾大学食品工程学院,广西钦州535000 [3]广西高校北部湾海产品高值化利用与预制食品重点实验室,广西钦州535000

出　　处：《食品工业科技》2024年第21期37-44,共8页Science and Technology of Food Industry

基　　金：广西科技厅科技基地和人才专项(桂科AD20159019);北部湾大学高层次人才科研启动经费项目(2019KYQD10)。

摘　　要：为研究柠檬苦素(Limonin,LM)与牛血清白蛋白(Bovine serum albumin,BSA)相互作用,本文采用紫外光谱法、荧光光谱法及分子对接技术研究LM与BSA的相互作用机制。结果表明:LM能有效淬灭BSA的内源荧光,其淬灭类型为静态淬灭;两者发生相互作用可形成1个结合位点,分子间作用力主要为氢键和范德华力,该相互作用过程为自发反应;紫外光谱及同步荧光光谱表明,LM与BSA发生相互作用后,可以增加BSA上酪氨酸(Tyr)、色氨酸(Trp)残基微环境的疏水性;通过竞争位点实验及分子对接,发现LM与BSA的结合位点在siteⅠ附近,LM可以与BSA上的Trp-213形成氢键,与Tyr-340/451等残基之间存在范德华力。In order to study the interaction between limonin(LM)and bovine serum albumin(BSA),in this paper,the interaction mechanism between LM and BSA was explored by ultraviolet(UV)spectroscopy,fluorescence spectroscopy and molecular docking technology.The results showed that LM could significantly quench the endogenous fluorescence of BSA,displaying a static quenching type.In addition,LM formed a binding site with BSA by hydrogen bonding and van der Waals forces,demonstrating a spontaneous interaction mechanism.Meanwhile,UV spectroscopy and synchronous fluorescence spectroscopy showed that the interaction between LM and BSA could increase the hydrophobicity of tyrosine(Tyr)and tryptophan(Trp)residue microenvironment on BSA.Through competition site experiments and molecular docking,it was found that the binding site between LM and BSA was near siteⅠ,and LM could form hydrogen bonds with Trp-213 on BSA,and there were van der Waals forces between LM and Tyr-340/451 residues.

关 键 词：柠檬苦素 牛血清白蛋白 相互作用 荧光光谱 分子对接 

分 类 号：TS201.2[轻工技术与工程—食品科学]