Abstract

Application of proteinous drugs can be associated with difficulties during both in storage/transportation and in the body when they are used. However, using pharmaceutical carbohydrates that are widely employed in drug delivery systems, besides the drug can be protected, these systems leading to gradually release the drug over time, or deliver it to the target cell. Using a combination of molecular modeling and simulation techniques, in this study the effects of five carbohydrate polymers of Chitosan, Alginate, Cyclodextrin, Hyaluronic acid and Pectin on structure and dynamics of interleukin2 protein at 298 K and 343 K, are investigated. Data achieved using molecular modeling methods showed that when the temperature rises, the protein stability decreases. Among different polymers, Chitosan and Cyclodextrin have shown to be able to protect protein against the negative effects of high temperatures in comparison with other polymers which suggests that the use of Cyclodextrin biopolymer for the preparation of pharmaceutical formulations of interleukin2 can be the best possible choice among other polymers investigated in this research.

Communicated by Ramaswamy H. Sarma

摘要

蛋白质药物的应用在储存/运输过程中以及在使用时在体内都存在困难。然而，使用广泛用于药物递送系统的药用碳水化合物，除了可以保护药物外，这些系统会导致药物随时间逐渐释放，或将其递送至靶细胞。本研究结合分子建模和模拟技术，研究了壳聚糖、海藻酸盐、环糊精、透明质酸和果胶这五种碳水化合物聚合物在 298 K 和 343 K 下对白细胞介素 2 蛋白结构和动力学的影响。使用分子建模方法获得的数据表明，当温度升高时，蛋白质稳定性降低。在不同的聚合物中，

由 Ramaswamy H. Sarma 交流