表面改性聚氨酯与凝血因子间作用的数值模拟

Molecular Dynamics Simulation of Interaction between Modified Polyurethane Surfaces and Blood Coagulation Factor

以血液中的凝血因子IX中Calcium-binding EGF-like domain作为研究对象,对蛋白质(片段)与不同亲水性结构修饰的聚氨酯材料表面相互作用体系进行分子动力学模拟;分析结果显示:阴离子型和两性亲水性结构修饰的聚氨酯材料表面对蛋白质自然状态的维持程度较好。

Calcium-binding EGF-like domain of coagulation factor IX was chosen as research objects to simulate the surface interactions between protein and different hydrophilic structures grafted polyurethane. The results of the dynamics simulations show that the surfaces of polyurethane grafted with anionic hydrophilic structures and zwitterionic hydrophilic structures behave better to maintain the natural behavior of the protein.