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

Francesca Collu; Enrico Spiga; Nesrine Chakroun; Human Rezaei; Franca Fraternali

doi:10.1039/c8cc04089c

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

Francesca Collu, Enrico Spiga, Nesrine Chakroun, Human Rezaei, Franca Fraternali^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

11 Citations (Scopus)

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-OvPrP^Sc), known to be the portion of prion protein carrying oligomerization activity.

Original language	English
Pages (from-to)	8007-8010
Number of pages	4
Journal	Chemical Communications
Volume	54
Issue number	57
Early online date	3 Jul 2018
DOIs	https://doi.org/10.1039/c8cc04089c
Publication status	E-pub ahead of print - 3 Jul 2018

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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.",

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AU - Spiga, Enrico

AU - Chakroun, Nesrine

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AU - Fraternali, Franca

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AB - 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.

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

Abstract

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