| 光谱法与分子模拟表征2种呫吨酮类化合物键合人血清白蛋白 |
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| 引用本文： | 何文英,史载锋,陈光英,莫姗姗,姚小军,任明. 光谱法与分子模拟表征2种呫吨酮类化合物键合人血清白蛋白[J]. 药物分析杂志, 2011, 0(1) |
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| 作者姓名： | 何文英 史载锋 陈光英 莫姗姗 姚小军 任明 |
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| 作者单位： | 海南师范大学化学化工学院;海南师范大学省部共建-热带药用植物化学教育部重点实验室;兰州大学化学化工学院; |
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| 基金项目： | 国家自然科学基金资助项目(20762004); 海南省自然科学基金资助项目(209006); 海南师范大学环境化学重点学科项目 |
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| 摘 要： | 目的:表征2种呫吨酮类化合物(1-hydroxy-7-methoxyxanthone,HM;dehydrocycloguanandin,DC)与人血清白蛋白(human serum albumin,HSA)的键合作用。方法:在模拟生理条件下,应用计算机模拟技术,并结合荧光光谱法和紫外吸收光谱法研究药物与蛋白的相互作用。结果:分子模拟显示了DC及HM与HSA的键合区域和键合模式,表明维持药物与蛋白质的相互作用力主要是疏水作用,兼有位于不同氨基酸残基的氢键。荧光光谱实验结果表明:这2种呫吨酮类化合物对HSA的荧光在一定的浓度范围内都有猝灭作用,猝灭方式均为静态猝灭。紫外光谱图表明它们对蛋白微环境有影响。根据荧光滴定数据,求出了不同温度下(296,303,310 K)反应的结合常数及反应热力学参数。通过竞争实验确定了这2种药物在蛋白上的不同结合位点。结论:在分子水平上揭示了这2种呫吨酮类化合物与HSA有不同的、较强的键合作用。
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| 关 键 词： | 呫吨酮类化合物 人血清白蛋白 键合位点 光谱法 分子模拟 |
Molecular modeling and spectroscopic studies on the characterization of two xanthones binding on the human serum albumin |
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| HE Wen-ying,,SHI Zai-feng,CHEN Guang-ying,MO Shan-shan,YAO Xiao-jun,REN Ming. Molecular modeling and spectroscopic studies on the characterization of two xanthones binding on the human serum albumin[J]. Chinese Journal of Pharmaceutical Analysis, 2011, 0(1) |
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| Authors: | HE Wen-ying SHI Zai-feng CHEN Guang-ying MO Shan-shan YAO Xiao-jun REN Ming |
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| Affiliation: | HE Wen-ying1,3,SHI Zai-feng1,CHEN Guang-ying3,MO Shan-shan1,YAO Xiao-jun2,REN Ming1(1.College of Chemistry and Chemical Engineering,Hainan Normal University,Haikou 571158,China,2.College of Chemistry and Chemical Engineering,Lanzhou University,Lanzhou 730000,3.Key Laboratory of Tropical Medicinal Plant Chemistry of Ministry of Education,College of Chemistry and Chemical Engineering,China) |
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| Abstract: | Objective:To characterize the binding between two xanthones(1-hydroxy-7-methoxyxanthone,HM;dehydrocycloguanandin,DC)and human serum albumin(HSA).Methods:A combination of intrinsic fluorescence,absorption spectroscopy and the molecular modeling techniques had been used to investigate the interaction between two drugs and HSA.Results:Molecular docking was performed to reveal the possible binding mode or mechanism and suggested that DC and HM can strongly bind to HSA.It is considered that DC or HM bind to HSA ... |
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| Keywords: | xanthones human serum albumin binding site spectroscopy molecular modeling |
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