高等学校化学学报Issue(2)：274-280,7.DOI:10.7503/cjcu20150695
单克隆抗体依那西普融合蛋白的活性结构保护
Active Structure Protection of Monoclonal Antibody Fusion Protein Etanercept†
摘要
Abstract
The thermodynamic stability of etanercept in different concentrations of the protective agent was in-vestigated. The approaches of umbrella sampling and steered molecular dynamic simulation were adopted to study the dissociation of dimer etanercept with Gromacs software and amber99sb-ildn united atomic force field. The results indicated that the trehalose has ability to enhance the stability of dimer etanercept, and the protec-tive effect of etanercept with trehalose and mannitol is better than with pure trehalose. In addition, the type of protective agent and alternative specific adsorption position can impact the effect of protecting active structure of etanercept observably.关键词
依那西普/拉伸模拟/伞状采样/海藻糖Key words
Etanercept/Steered molecular dynamic/Umbrella sampling/Trehalose分类
化学化工引用本文复制引用
潘琦,李代禧,郭柏松,杨春生,杨智..单克隆抗体依那西普融合蛋白的活性结构保护[J].高等学校化学学报,2016,(2):274-280,7.基金项目
国家自然科学基金(批准号:51076108)、上海市自然科学基金(批准号:12ZR1420400)、上海市“创新行动计划”国际科技合作项目(批准号:12430702000)和上海市联盟计划项目资助.? Supported by the National Natural Science Foundation of China( No.51076108), the National Science Foundation of Shanghai, China (No.12ZR1420400), the Innovation Funds for International Cooperation of the Shanghai Committee of Science and Technology, China (No.12430702000) and the Alliance Program in Shanghai, China （批准号:51076108）
