Investigation of Binding Behavior between Drug Molecule 5-Fluoracil and M4 L4 -Type Tetrahedral Cages: Selectivity, Capture, and Release.
Wei-Qin XuYan-Zhong FanHai-Ping WangJun TengYu-Hao LiCheng-Xia ChenDieter FenskeJi-Jun JiangCheng-Yong SuPublished in: Chemistry (Weinheim an der Bergstrasse, Germany) (2017)
Two analogous M4 L4 -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.
Keyphrases
- mass spectrometry
- high resolution
- ms ms
- liquid chromatography
- endothelial cells
- multiple sclerosis
- dna binding
- gas chromatography
- adverse drug
- high performance liquid chromatography
- induced pluripotent stem cells
- drug induced
- binding protein
- emergency department
- tandem mass spectrometry
- metal organic framework
- electronic health record