高等学校化学学报 ›› 2016, Vol. 37 ›› Issue (2): 274.doi: 10.7503/cjcu20150695

• 有机化学 • 上一篇    下一篇

单克隆抗体依那西普融合蛋白的活性结构保护

潘琦1, 李代禧1(), 郭柏松2, 杨春生2, 杨智2   

  1. 1. 上海理工大学食品科学与工程研究所, 上海 200093
    2.上海东富龙科技股份有限公司冻干工艺研究室, 上海 201108
  • 收稿日期:2015-09-08 出版日期:2016-02-10 发布日期:2016-01-13
  • 作者简介:联系人简介: 李代禧, 男, 博士, 副教授, 主要从事计算生物学方面的研究. E-mail:dxli75@126.com
  • 基金资助:
    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

Active Structure Protection of Monoclonal Antibody Fusion Protein Etanercept

PAN Qi1, LI Daixi1,*(), GUO Baisong2, YANG Chunsheng2, YANG Zhi2   

  1. 1. Institute of Food Science and Engineering, University of Shanghai for Science and Technology,Shanghai 200093, China
    2. Institute of Freeze-drying Technology, Shanghai Tofflon Science and Technology Co, Ltd., Shanghai 201108, China
  • Received:2015-09-08 Online:2016-02-10 Published:2016-01-13
  • Contact: LI Daixi E-mail:dxli75@126.com
  • Supported by:
    † 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

摘要:

采用拉伸模拟和伞状采样的方法, 利用Gromacs软件和Amber99sb-ildn分子力场研究了不同浓度的海藻糖体系和海藻糖-甘露醇复合体系中单克隆依那西普融合蛋白二聚体的解离过程. 结果表明, 海藻糖能显著增强依那西普二聚体活性结构的稳定性, 且海藻糖-甘露醇的复合保护优于海藻糖的单一保护; 保护剂的种类及其选择性吸附保护的特定位置对依那西普蛋白二聚体活性结构保护效果的影响显著.

关键词: 依那西普, 拉伸模拟, 伞状采样, 海藻糖

Abstract:

The thermodynamic stability of etanercept in different concentrations of the protective agent was investigated. 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 protective 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.

Key words: Etanercept, Steered molecular dynamic, Umbrella sampling, Trehalose

中图分类号: 

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