Ultrasonic waves effect on S-shaped β-amyloids conformational dynamics by non-equilibrium molecular dynamics.

07:00 EST 24th December 2019 | BioPortfolio

Summary of "Ultrasonic waves effect on S-shaped β-amyloids conformational dynamics by non-equilibrium molecular dynamics."

Ultrasound-based technologies are widely adopted in the clinical practice. Recently, the ultrasound stable cavitation has been proposed as a strategy to destabilize amyloid aggregates in Alzheimer disease. However, the molecular mechanisms driving ultrasound-induced amyloid destabilization are not fully clarified yet. Here, molecular dynamics is applied to investigate in silico the conformational dynamics induced by ultrasound stable cavitation on S-shaped Aβ1-42 amyloid fibrils, which has been highlighted as a more stable architecture with respect to U-shaped Aβ1-42. The findings of the study suggested that ultrasound exposure could affect S-shaped aggregates folding dynamics and kinetics, with a marked dependence on the fibril polymorphism. More in detail, here we suggest that the molecular mechanisms of amyloid destabilization could be driven by residues not involved in defined secondary structures, with unstructured amyloid regions acting as source of instability for the overall fibril by opening a nanofracture able to propagate into the protein, until the complete unfolding of the molecular assembly takes place.


Journal Details

This article was published in the following journal.

Name: Journal of molecular graphics & modelling
ISSN: 1873-4243
Pages: 107518


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Medical and Biotech [MESH] Definitions

Changes in the observed frequency of waves (as sound, light, or radio waves) due to the relative motion of source and observer. The effect was named for the 19th century Austrian physicist Johann Christian Doppler.

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Oscillating sound wave with a frequency higher than the upper limit of the human hearing range.

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