降血糖药物对血清白蛋白二级结构的影响
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摘要
目的:本文研究了金属离子对白背三七中主要降血糖成分木犀草素、槲皮素、山奈酚分别与牛血清白蛋白(BSA)相互作用的影响。并通过分子模拟进一步探讨了这些药物与牛血清白蛋白、蛋白质结合的作用力。方法主要利用荧光光谱法,在生理条件p H=7.4的条件下,研究了金属离子Mn~(2+)、Co~(2+)、Ni~(2+)对白背三七中木犀草素、槲皮素、山奈酚在常温(298K)下分别与牛血清白蛋白的相互作用对BSA结构的影响。用AUTODOCK中的柔性对接方法从理论上进一步探讨这些药物分别与牛血清白蛋白蛋白质结合的位点和作用力。结果金属离子的存在改变了色氨酸残基的同步荧光峰位置,使之与黄酮-BSA体系相反。得到木犀草素、槲皮素、山奈酚与牛血清白蛋白分子对接结果。结论:金属离子的存在加剧了木犀草素、槲皮素、山奈酚与牛血清白蛋白作用时BSA结构的变化。并通过软件分别求出了三种黄酮成分与BSA相互作用时的结合位点。
Objective: This paper studied the effects of metal ions on the interaction of luteolin, quercetin and kaempferol with bovine serum albumin(BSA), and further investigated the binding force between these drugs and bovine serum albumin protein by molecular simulation. Method: Mainly through fluorescence spectroscopy, under physiological conditions of p H=7.4, The effects of metal ions Mn~(2+)、Co~(2+) and Ni~(2+) on the structure of luteolin, quercetin and kaempferol in pseudo-ginseng radix with bovine serum albumin at normal temperature(298 K) were studied. The binding sites and forces of these drugs to bovine serum albumin(BSA) proteins were further investigated theoretically by flexible docking method in AUTODOCK. Result: The presence of metal ions changes the synchronous fluorescence peak position of tryptophan residues, which is opposite to the flavonoid-BSA system. The docking results of luteolin, quercetin, kaempferol and bovine serum albumin molecules were obtained. Conclusion: The presence of metal ions intensifies the structural changes of BSA during the interaction of luteolin, quercetin, kaempferol and bovine serum albumin. The binding sites of interaction of the three flavonoid components with BSA were determined by software.
Objective: This paper studied the effects of metal ions on the interaction of luteolin, quercetin and kaempferol with bovine serum albumin(BSA), and further investigated the binding force between these drugs and bovine serum albumin protein by molecular simulation. Method: Mainly through fluorescence spectroscopy, under physiological conditions of p H=7.4, The effects of metal ions Mn~(2+)、Co~(2+) and Ni~(2+) on the structure of luteolin, quercetin and kaempferol in pseudo-ginseng radix with bovine serum albumin at normal temperature(298 K) were studied. The binding sites and forces of these drugs to bovine serum albumin(BSA) proteins were further investigated theoretically by flexible docking method in AUTODOCK. Result: The presence of metal ions changes the synchronous fluorescence peak position of tryptophan residues, which is opposite to the flavonoid-BSA system. The docking results of luteolin, quercetin, kaempferol and bovine serum albumin molecules were obtained. Conclusion: The presence of metal ions intensifies the structural changes of BSA during the interaction of luteolin, quercetin, kaempferol and bovine serum albumin. The binding sites of interaction of the three flavonoid components with BSA were determined by software.
引文
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[7]Gai W,Zhang YL,Ai L,et al.Screening of HMG-Co A Reductase Inhibitors from Composite Salvia Miltiorrhiza Using Autodock[J].Chinese Journal Of Natural Medicines,2010,8(1):51-56.
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[10]原华平,姚星,李微.吡哌酸与牛血清白蛋白相互作用的热力学研究[J].分析科学学报,2006,22(6):667-670.
[2]何立魏,晓芳,爱林,孙静,薛玉涵.白背三七现代研究进展[J].中国民族医药志,2014,20(10),61-64.
[3]杨频,高飞.生物无机化学原理[M].北京:科学出版社,2002.
[4]赵长春,郑维发,李梦秋.小檗碱与牛血清白蛋白相互作用的光谱学研究[J].分析科学学报,2004,20(3):275-277.
[5]张国文,阙青民,潘军辉.葛根素与牛血清白蛋白相互作用的研究[J].光谱学与光谱分析,27(9):1784-1787.
[6]韩冬.五种黄酮类化合物与牛血清白蛋白相互作用及金属离子和酒精的影响研究[D].河北:河北医科大学,2010.
[7]Gai W,Zhang YL,Ai L,et al.Screening of HMG-Co A Reductase Inhibitors from Composite Salvia Miltiorrhiza Using Autodock[J].Chinese Journal Of Natural Medicines,2010,8(1):51-56.
[8]Roe RC,Kuntz ID.Builder v.2:improving the chemistry of a de novo design strategy[J].Computer-Aided Molecular Design,1995,9(3):269-282.
[9]任凤莲,谭小艳,杨春生.反白藜芦醇与牛血清白蛋白相互作用的多光谱法研究[J].分析测试学报,2008,27(6):630-634.
[10]原华平,姚星,李微.吡哌酸与牛血清白蛋白相互作用的热力学研究[J].分析科学学报,2006,22(6):667-670.