Probing the early stages of prion protein (PrP) aggregation with atomistic molecular dynamics simulations

Chem Commun (Camb). 2018 Jul 12;54(57):8007-8010. doi: 10.1039/c8cc04089c.

Abstract

Prions are self-replicating infectious proteinaceous agents whose conformations are capable of forming amyloid-like aggregate fibrils. Here we present molecular dynamics simulations aimed at investigating the aggregation process of the β-rich H2H3 domain of the ovine prion protein (H2H3-OvPrPSc), known to be the portion of prion protein carrying oligomerization activity.

MeSH terms

  • Animals
  • Molecular Dynamics Simulation*
  • Prion Proteins / chemistry*
  • Prion Proteins / metabolism
  • Protein Aggregates / physiology
  • Protein Stability
  • Protein Structure, Secondary
  • Sheep

Substances

  • Prion Proteins
  • Protein Aggregates