Synthesis, biological evaluation and metadynamics simulations of novel N-methyl β-sheet breaker peptides as inhibitors of Alzheimer's β-amyloid fibrillogenesis

Abstract

We report the synthesis and in vitro evaluation of novel beta-sheet breaker peptides as promising Aβ fibrillogenesis inhibitors. Further 3D-GRID pharmacophore and metadynamics simulations rationalized the design of these peptides.