在许多医学和化学应用中，需要对目标分子进行控制释放。为此，具有高孔隙度、大表面积和可调功能的金属-有机框架（MOFs）作为载体具有很大的潜力。在此研究中，我们将抗癌药物槲皮素（QU）装载到Cu2(BDC)2(DABCO)和Cu2(F4BDC)2(DABCO) MOFs上。由于这些Cu-MOFs具有高表面积、适当的孔径和生物相容性的成分，它们可以用于传递QU。这些MOFs中QU的装载效率分别为49.5%和41.3%。药物载荷化合物表现出持续15天的缓慢释放、极高的药物载荷能力和pH控制释放行为。我们通过傅立叶变换红外光谱、粉末X射线衍射、电泳测量、透射电子显微镜、场发射扫描电子显微镜、紫外-可见光谱和比表面积测定等多种表征技术对所制备的纳米结构进行了表征。此外，我们对HeLa和HEK-293细胞株进行了MTT测定以研究细胞毒性，并进行了细胞凋亡分析以研究细胞死亡机制。我们还利用巨正则蒙特卡洛模拟研究了MOFs与QU之间的相互作用，同时还研究了MOFs在药物释放过程中和之后的稳定性。最后，我们评估了药物释放的动力学模型。© 2023 Wiley-VCH GmbH.

Controlled delivery of target molecules is required in many medical and chemical applications. For such purposes, metal-organic frameworks (MOFs) with high porosity, large surface area, and tunable functionalities are promising carriers. Herein, Quercetin (QU), as an anticancer drug, was loaded on Cu2(BDC)2(DABCO) and Cu2(F4BDC)2)DABCO) MOFs. As these Cu-MOFs have a high surface area, a suitable pore size, and biocompatible ingredients, they can be utilized to deliver QU.  The loading efficiency of QU in these MOFs was 49.5% and 41.3%, respectively. The drug-loaded compounds displayed sustained drug release over 15 days, remarkably high drug loading capacities and pH-controlled release behavior. The prepared nanostructures were characterized by different characterization technics including FT-IR, PXRD, ZP, TEM, FE-SEM, UV-vis, and BET. In addition, MTT assays were carried out on HeLa and HEK-293 cell lines to investigate cytotoxicity. Cellular apoptosis analysis was performed to investigate the cell death mechanisms. Grand Canonical Monte Carlo simulations were conducted to analyze the interactions between MOFs and QU. Moreover, the stability of MOFs was also investigated during and after the drug release process. Ultimately, kinetic models of drug release were evaluated.© 2023 Wiley-VCH GmbH.