麋鹿朊蛋白结构稳定性的分子动力学研究

摘要

朊蛋白病是一种致命且具有高度传染性的神经退行性疾病.糜鹿是目前已经报道的哺乳类动物中较易发生朊蛋白病的物种之一.作者使用分子动力学和操控式分子动力学模拟相结合的方法对糜鹿正常朊蛋白的结构稳定性进行了研究.发现了麋鹿朊蛋白结构中的不稳定结构域分布以及热动力学性质,揭示了糜鹿朊蛋白稳定性的分子结构基础以及力学特征.%Prion diseases are fatal and highly infectious neurodegenerative diseases. Elk is one of the several mammalian species reported to be easy to be infected from prion diseases. In this work, molecular dynamics (MD) and steered molecular dynamics (SMD) simulations were combined to study the stability of elk prion protein (ePrPc). The unstable domain and the thermodynamics motion of ePrP( were observed, and the molecular basis of the stability and the force properties of ePrPc were revealed.