| 电喷雾质谱法研究天然产物小分子识别人类端粒G-四链体及复合物的热稳定性 |
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| 引用本文： | 何湘伟,龙海涛,袁谷,徐筱杰,周亚伟.电喷雾质谱法研究天然产物小分子识别人类端粒G-四链体及复合物的热稳定性[J].物理化学学报,2010,26(4):1082-1086. |
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| 作者姓名： | 何湘伟 龙海涛 袁谷 徐筱杰 周亚伟 |
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| 作者单位： | Beijing National Laboratory for Molecular Science, Key Laboratory of Bioorganic and Molecular Engineering of Education Ministry, Department of Chemical Biology, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, P. R. China; College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, P. R. China; Baschoior Research Center, Peking University, Beijing 100084, P. R. China |
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| 摘 要： | 利用电喷雾质谱(ESI-MS)研究了12种天然产物小分子与人类端粒G-四链体结构的非共价相互作用和识别功能, 比较了不同小分子与人类端粒G-四链体的结合强弱, 发现了一种新的识别小分子——防己诺林碱对人类端粒G-四链体有很好的结合. 通过质谱升温实验比较了小分子结合对G-四链体热稳定性的影响, 防己诺林碱的结合使G-四链体的离子的解离温度(T1/2)上升到200 ℃. 利用分子模拟对G-四链体DNA与小分子结合的模式以及稳定性进行了探讨, 给出了防己诺林碱可能的结合位点和结合模式, Autodock计算出来的结合能约为-31.5 kJ·mol-1. 同原来的平面型分子不同, 防己诺林碱是一类新型结构的分子, 为设计合成新型G-四链体识别分子提供了新的结构模型.
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| 关 键 词： | 分子模拟 端粒 G-四链体DNA 天然产物小分子 电喷雾质谱 |
| 收稿时间： | 2009-11-03 |
| 修稿时间： | 2010-01-12 |
Investigation of Interaction of Small Natural Product Molecules and Human Telomeric G-Quadruplex and Thermal Stabilities of the Complexes by Electrospray Ionization Mass Spectrometry |
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| HE Xiang-Wei LONG Hai-Tao YUAN Gu,XU Xiao-Jie ZHOU Ya-Wei.Investigation of Interaction of Small Natural Product Molecules and Human Telomeric G-Quadruplex and Thermal Stabilities of the Complexes by Electrospray Ionization Mass Spectrometry[J].Acta Physico-Chimica Sinica,2010,26(4):1082-1086. |
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| Authors: | HE Xiang-Wei LONG Hai-Tao YUAN Gu XU Xiao-Jie ZHOU Ya-Wei |
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| Institution: | Beijing National Laboratory for Molecular Science, Key Laboratory of Bioorganic and Molecular Engineering of Education Ministry, Department of Chemical Biology, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, P. R. China; College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, P. R. China; Baschoior Research Center, Peking University, Beijing 100084, P. R. China |
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| Abstract: | Electrospray ionization mass spectrometry (ESI-MS) was used to investigate the non-covalent interaction of human telomeric G-quadruplex (G4) DNA with 12 natural product molecules.We found that Fangchinoline,a new ligand of the human telomeric G-quadruplex,had the highest binding affinity among these molecules.The stabilities of the G-quadruplex and the complexes of the G-quadruplex with small molecules were investigated using a mass spectrometry heating experiment.By Fangchinoline binding,the dissociation t... |
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| Keywords: | Molecular modeling Telomere G-quadruplex DNA Natural product molecule Electrospray ionization mass spectrometry |
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