Department of Biotechnology, Research Institute of Modern Biological Techniques (RIMBT), University of Zanjan, Zanjan 45371-38791, Iran.
Department of Chemistry, Faculty of Science, University of Zanjan, Zanjan 45371-38791, Iran.
Inorg Chem. 2022 Aug 22;61(33):13125-13132. doi: 10.1021/acs.inorgchem.2c01820. Epub 2022 Aug 10.
To study the influence of pore structural properties of metal-organic frameworks (MOFs) on drug adsorption and delivery, we synthesized two MOF termed TMU-6(RL1) {[Zn(oba)(RL1)]·(DMF)} and TMU-21(RL2) {[Zn(oba)(RL2)]·(DMF)} with amine basic N-donor pillars containing phenyl or naphthyl cores with various hydrophilic properties around the main center of the reaction. TG, IR, XPS, and PXRD analyses were used to extensively characterize the MOFs. The synthesized carriers showed high adsorption efficiency, stability, and controlled release. As an anticancer drug, Nimesulide (Nim) was adsorbed to MOFs using multiple adsorption mechanisms, such as π-π interaction and N-H···O hydrogen bonds. Moreover, Hirshfeld surface analysis showed when the benzene core was replaced with the naphthalene core, the percentage of intermolecular interactions of π···π and N···H by amine sites in TMU-21(RL2) decreased compared with TMU-6(RL1), while the percentage of these interactions with guest molecules increased. The results showed that changes in the hydrophobicity/hydrophilicity properties of MOFs would alter their ability to adsorb Nim in the pore of the frameworks. In vitro anticancer studies also showed that the cytotoxicity of Nim in MOFs@Nim composites against human cervical cancer cell line (HeLa cells) and human colon cancer cell line (HT-29 cells) is much higher than that of free Nim. Generally, based on the results, it can be said that the biological behavior of carriers can be regulated by adjusting the structure properties of MOFs.
为了研究金属-有机骨架（MOFs）的孔结构性质对药物吸附和输送的影响，我们合成了两种MOF，分别命名为 TMU-6(RL1) {[Zn(oba)(RL1)]·(DMF)} 和 TMU-21(RL2) {[Zn(oba)(RL2)]·(DMF)}，它们的胺碱性 N-供体支柱含有苯或萘核，具有不同的亲水性，位于反应的主要中心周围。使用 TG、IR、XPS 和 PXRD 分析对 MOFs 进行了广泛的表征。所合成的载体表现出高吸附效率、稳定性和可控释放。作为一种抗癌药物，尼美舒利（Nim）通过多种吸附机制，如π-π相互作用和 N-H···O 氢键，被吸附到 MOFs 上。此外，Hirshfeld 表面分析表明，当苯核被萘核取代时，与 TMU-21(RL2)中的胺位相比，TMU-6(RL1)中π···π和 N···H 之间的分子间相互作用的百分比减少，而与客体分子的这些相互作用的百分比增加。结果表明，MOFs 的疏水性/亲水性性质的变化会改变它们在骨架孔中吸附 Nim 的能力。体外抗癌研究还表明，MOFs@Nim 复合材料中 Nim 的细胞毒性对人宫颈癌细胞系（HeLa 细胞）和人结肠癌细胞系（HT-29 细胞）的作用远高于游离 Nim。总的来说，根据这些结果可以说，可以通过调节 MOFs 的结构性质来调节载体的生物学行为。
