Mechanical Characterization of Prion Fibrils using Coarse-grained Modeling Approach in Silico

G. Yoon, Y-K. Kim, K. Eom, S. Na
Korea University, KR

Keywords: prion fibril, HET-s(218-289), elastic modulus, coarse-grained model, elastic network model, normal mode analysis


Recently, prion is aroused interest with amyloid for its fatality in human and animal`s disease such as Creutzfeldt–Jakob disease and bovine spongiform encephalopathy. The prion has nanoscale long fibrillar form and exists high mechanical properties, which is highly related to the propagation of the prion. Therefore it is important to understand the relationship of molecular structure and mechanical properties of prion. In this research, we employ coarse-grained modeling approach which is elastic network model for predicting possible elastic deformation of prion fibril. And the elastic property of prion fibrils is calculated by Euler-Bernoulli beam theory. This method is well validated by results of mechanical properties of amyloid fibrils like Abeta fibrils(related to Alzheimer`s disease) and hIAPP(related to diabetes), which are comparable to the AFM experimental results. we expect that this study sheds light on understanding the disease induced by prion, and suggest the relation between mechanical characteristics and propagation of prion.