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药物分子5-氟尿嘧啶与M L型四面体笼的结合行为研究:选择性、捕获与释放

Investigation of Binding Behavior between Drug Molecule 5-Fluoracil and M L -Type Tetrahedral Cages: Selectivity, Capture, and Release.

作者信息

Xu Wei-Qin, Fan Yan-Zhong, Wang Hai-Ping, Teng Jun, Li Yu-Hao, Chen Cheng-Xia, Fenske Dieter, Jiang Ji-Jun, Su Cheng-Yong

机构信息

MOE Laboratory of Bioinorganic and Synthetic Chemistry, Lehn Institute of Functional Materials, School of Chemistry, Sun Yat-Sen University, Guangzhou, 510275, P. R. China.

Department of Chemistry, Guangdong University of Education, Guangzhou, 510303, P. R. China.

出版信息

Chemistry. 2017 Mar 13;23(15):3542-3547. doi: 10.1002/chem.201606060. Epub 2017 Feb 9.

DOI:10.1002/chem.201606060
PMID:28094459
Abstract

Two analogous M L -type tetrahedral cages (smaller: MOC-19; larger: MOC-22) were synthesized and investigated for their interactions with the anticancer drug 5-fluoracil (5-FU) by NMR spectroscopy, high-resolution electrospray-ionization mass spectrometry (HR-ESI-MS), and molecular simulation. The cage's size and window are of importance for the host-guest binding, and consequently the smaller MOC-19 with a more suitable size of cavity window was found to have much stronger hydrogen-bond interactions with 5-FU. The porous nanoparticles of MOC-19 exhibited outstanding behavior for the controlled release of 5-FU in a simulated human body with liquid phosphate-buffered saline solution.

摘要

合成了两个类似的M L型四面体笼(较小的:MOC-19;较大的:MOC-22),并通过核磁共振光谱、高分辨率电喷雾电离质谱(HR-ESI-MS)和分子模拟研究了它们与抗癌药物5-氟尿嘧啶(5-FU)的相互作用。笼的尺寸和窗口对于主客体结合很重要,因此发现具有更合适腔窗口尺寸的较小的MOC-19与5-FU具有更强的氢键相互作用。MOC-19的多孔纳米颗粒在含有液体磷酸盐缓冲盐水溶液的模拟人体中对5-FU的控释表现出优异的性能。

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