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盐酸哌甲酯离子交换树脂复合物的络合及释放机制研究

Study on the Complexation and Release Mechanism of Methylphenidate Hydrochloride Ion Exchange Resin Complex.

作者信息

Li Conghui, Han Xiaolu, Hong Xiaoxuan, Li Xianfu, Zhang Hui, Wang Zengming, Zheng Aiping

机构信息

State Key Laboratory of Toxicology and Medical Countermeasures, Beijing Institute of Pharmacology and Toxicology, 27th Taiping Road, Beijing 100850, China.

出版信息

Polymers (Basel). 2021 Dec 15;13(24):4394. doi: 10.3390/polym13244394.

DOI:10.3390/polym13244394
PMID:34960946
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC8708423/
Abstract

Since the advent of ion exchange resin, it has been widely used in many fields, including drug delivery systems. The drug binds to the resin through an exchange reaction to form a drug-resin complex, which can gradually release drugs through the exchange of physiological ions in the gastrointestinal tract, to realize functions such as taste masking and regulating release. In this study, the complexes of methylphenidate hydrochloride and Amberlite IRP69 were prepared and evaluated to explore the mechanism of complexation, influencing factors and release mechanism at a molecular level. Firstly, with the properties of the selected complexes, molecular dynamics simulation was innovatively used to find that the intermolecular interaction between drug molecules and ion exchange resin molecules is mainly caused by the stacking effect of π and salt bridges. Secondly, with the drug loading status as an indicator, the factors affecting the compounding process of the drug and resin were explored. Finally, the release mechanism of the drug-resin complex was studied by mathematical model fitting. In summary, a variety of methods were used to study the mechanism of complexation and release between drug and resin, providing a theoretical basis for promoting the marketing of ion-exchange resin-mediated oral preparations.

摘要

自离子交换树脂问世以来，它已在包括药物递送系统在内的许多领域中广泛使用。药物通过交换反应与树脂结合形成药物 - 树脂复合物，该复合物可通过胃肠道中生理离子的交换逐渐释放药物，以实现掩味和控释等功能。在本研究中，制备并评估了盐酸哌甲酯与Amberlite IRP69的复合物，以在分子水平上探索络合机制、影响因素和释放机制。首先，根据所选复合物的性质，创新性地使用分子动力学模拟发现药物分子与离子交换树脂分子之间的分子间相互作用主要由π堆积效应和盐桥引起。其次，以载药状态为指标，探索了影响药物与树脂复合过程的因素。最后，通过数学模型拟合研究了药物 - 树脂复合物的释放机制。总之，采用多种方法研究了药物与树脂之间的络合和释放机制，为促进离子交换树脂介导的口服制剂上市提供了理论依据。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6253/8708423/09691df86253/polymers-13-04394-g017.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6253/8708423/09691df86253/polymers-13-04394-g017.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6253/8708423/09691df86253/polymers-13-04394-g017.jpg

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