摘要
热敏性蛋白药物日益在疾病的预防、诊断和治疗方面表现出重要的作用。然而,热敏药物的不稳定性给它们的推广和应用带来巨大难题。本文拟以氨基酸为干燥活性保护剂研究其对热敏性胰岛蛋白活性结构的保护作用,利用Gromacs软件和Gromos96(53a6)简化分子力场,通过REMD分子模拟方法详细研究了氨基酸对胰岛蛋白药物的干燥活性保护效果。研究结果表明,相对于没有保护的干燥胰岛蛋白样品,氨基酸的保护有效防止了胰岛蛋白在干燥过程中的亲疏水表面翻转。添加氨基酸保护剂后,胰岛蛋白不仅三维整体结构得到了很好的保持,而且二级结构改变也很小。由此可见,氨基酸是一种很好的干燥活性保护剂。
Abstract： Heat sensitive protein medicines are increasingly exhibiting their critical importance on treatment of various diseases at present. But their popularization and application meet a great challenge because of their heat instability. In the present study, insulin was taken as a heat sensitive protein medicine and amino acid as bio-protective agent in order to investigate if these amino acids can protect the insulin from losing its bioactivity due to desiccation. The experiment was performed by using replica exchange molecular simulation （REMD） method and Gromacs software with Gromos96 （53a6） force field. The REMD results indicated that these amino acids could protect the bioactive structure of insulin during desiccation. The configurations of the protected insulin were preserved very well. Those results proved that amino acid is a kind of good bioactive protective agent for the heat sensitive protein medicines.
出处
《生物医学工程学杂志》
EI
CAS
CSCD
北大核心
2014年第4期822-826,共5页
Journal of Biomedical Engineering
基金
国家自然科学基金资助项目(51076108)
上海市"创新行动计划"国际科技合作项目资助(12430702000)
上海市重点学科项目资助(T0503
P0502)
上海市自然科学基金资助项目(12ZR1420400)
上海市教委创新项目(14YZ092)
上海市联盟计划项目
关键词
氨基酸
人胰岛素
干燥
活性保护
分子模拟
amino acids human insulins desiccations bioactive protection
molecular simulation
