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

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.

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 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.