Computational and experimental studies on β-sheet breakers targeting Aβ1-40 fibrils.

  title={Computational and experimental studies on β-sheet breakers targeting Aβ1-40 fibrils.},
  author={Velia Minicozzi and Roberta Chiaraluce and Valerio Consalvi and Cesare Giordano and Claudia Narcisi and Pasqualina Punzi and Giancarlo Rossi and Silvia Morante},
  journal={The Journal of biological chemistry},
  volume={289 16},
In this work we present and compare the results of extensive molecular dynamics simulations of model systems comprising an Aβ1-40 peptide in water in interaction with short peptides (β-sheet breakers) mimicking the 17-21 region of the Aβ1-40 sequence. Various systems differing in the customized β-sheet breaker structure have been studied. Specifically we have considered three kinds of β-sheet breakers, namely Ac-LPFFD-NH2 and two variants thereof, one obtained by substituting the acetyl group… CONTINUE READING

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