Liu Congbiao, Guo Tao, Li Weimin, Jiang Zhiteng, Chen Min, Xu Nongzhang, Fang Zhongjian, Wang Cuihong
College of Medical Technology, Shanghai University of Medicine & Health Sciences, Shanghai 201318, China.
Health School Attached to Shanghai University of Medicine & Health Sciences, Shanghai 200237, China.
ACS Omega. 2019 Aug 27;4(11):14490-14496. doi: 10.1021/acsomega.9b01634. eCollection 2019 Sep 10.
γ-Cyclodextrin metal-organic frameworks (γCDMOF) recently emerged as biofriendly, highly porous, and crystalline materials with potential applications in drug delivery. However, little is known about their drug entrapment and release characteristics, which are key parameters in the design of drug carriers. The macroscopic properties of a material are determined by its microstructure. Thus, the characteristics of the constitutive units of the cubic crystalline γCDMOF determine their drug loading and release behaviors. In this study, the release profile of prednisolone (PNS) form γCDMOF was predicted, and the mechanism was analyzed based on the γCDMOF molecular structure. For the first time, experimental, molecular simulation, and mathematical modeling methods were combined to gain insights into the drug distribution in cubic porous crystals of γCDMOF as well as on drug release kinetics. The predicted release profile was in good agreement with the experimental results, showing that the modeling method was reliable. The methodology developed here could provide a reference for further investigations of drug penetration and release in supramolecular systems.
γ-环糊精金属有机框架材料（γCDMOF）最近作为一种生物友好型、高孔隙率的晶体材料崭露头角，在药物递送方面具有潜在应用价值。然而，对于其药物包封和释放特性（药物载体设计中的关键参数）我们却知之甚少。材料的宏观性质由其微观结构决定。因此，立方晶型γCDMOF的组成单元特性决定了它们的载药和释药行为。在本研究中，预测了泼尼松龙（PNS）从γCDMOF中的释放曲线，并基于γCDMOF的分子结构分析了其机制。首次将实验、分子模拟和数学建模方法相结合，以深入了解PNS在γCDMOF立方多孔晶体中的药物分布以及药物释放动力学。预测的释放曲线与实验结果吻合良好，表明该建模方法可靠。本文开发的方法可为进一步研究超分子体系中的药物渗透和释放提供参考。
