微波辅助合成、表征及载药 CP0-27-Mg 金属有机骨架的建模。

Microwave-Assisted Synthesis, Characterization and Modeling of CPO-27-Mg Metal-Organic Framework for Drug Delivery.

机构信息

Russian Academy of Sciences, N. D. Zelinsky Institute of Organic Chemistry, Russian Federation, Leninsky Prosp. 47, 119991 Moscow, Russia.

International Laboratory of Nanochemistry and Ecology, National University of Science and Technology MISiS, Moscow, Leninsky Prosp. 4, 119991 Moscow, Russia.

出版信息

Molecules. 2021 Jan 15;26(2):426. doi: 10.3390/molecules26020426.

DOI:10.3390/molecules26020426

PMID:33467467

原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7830474/

Abstract

The coordination polymer CPO-27-Mg was rapidly synthesized under microwave irradiation. This material exhibits a sufficiently high drug loading towards aspirin (~~8% wt.) and paracetamol (~~14% wt.). The binding of these two molecules with the inner surface of the metal-organic framework was studied employing the Gaussian and Plane Wave approach of the Density Functional Theory. The structure of CPO-27-Mg persists after the adsorption of aspirin or paracetamol and their desorption energies, being quite high, decrease under solvent conditions.

摘要

CPO-27-Mg 配位聚合物在微波辐射下迅速合成。该材料对阿司匹林（~~8wt%）和扑热息痛（~~14wt%）具有足够高的药物负载量。采用密度泛函理论的高斯和平面波方法研究了这两种分子与金属有机骨架内表面的结合情况。CPO-27-Mg 的结构在吸附阿司匹林或扑热息痛后保持不变，它们的解吸能相当高，在溶剂条件下会降低。