A combination of experiment and molecular simulation studies on a new metal-organic framework showing pH-triggered drug release

作者：Wang, F. M.; Wang, J.; Yang, S. Z.; Gu, C. Y.; Wu, X. R.^*; Liu, J. Q.; Sakiyama, H.; Xu, J. W.; Luo, M. M.; Liu, W. C.

来源：Russian Journal of Coordination Chemistry, 2017, 43(2): 133-137.

DOI：10.1134/S1070328417020099

• drug delivery
• release
• structure

A new Co(II)-based complex { [Co-2(L)(4,4'-Bipy)(2)] center dot CH3CN} (n) (I) (H4L = 5,5'-(biphenyl-4,4'- diyl-bis(methylene))bis(oxy)diisophthalic acid, 4,4'-Bipy = 4,4'-bipyridine) has been synthesized and structurally characterized. Single-crystal X-ray analysis (CIF file CCDC no. 1406388) reveals that compound I has 3D pcu topology. The incorporation of the drug 5-fluorouracil (5-FU) into the desolvated I was around 15.0 wt % of dehydrated I. Complex I also shows a pH-triggered controlled drug release property. In addition, we used semiempirical AM1 method to investigate the adsorption of 5-FU to I at the molecular level.

• 出版日期2017-2
• 单位陕西师范大学; 广东医科大学; 四川轻化工大学