Nicodemi Mario, de Candia Antonio, Coniglio Antonio
Department of Physics and Complexity Science Centre, University of Warwick, Coventry, United Kingdom.
Phys Rev E Stat Nonlin Soft Matter Phys. 2009 Oct;80(4 Pt 1):041914. doi: 10.1103/PhysRevE.80.041914. Epub 2009 Oct 12.
Amyloidlike proteins form highly organized aggregates, such as fibrils and plaques, preceded by the assembly of a wide range of unstructured oligomers and protofibrils. Despite their importance in a number of human neurodegenerative diseases, a comprehensive understanding of their kinetics and thermodynamics is still missing. We investigate, by computer simulations, a realistic model of amyloid molecules interacting via the experimentally determined Derjaguin-Landau-Verwey-Overbeek potential and derive its phase diagram. We show that fibrils and plaques, along with their precursors, correspond to different equilibrium and metastable thermodynamics phases and discuss the dynamical mechanisms leading to the nucleation and self-assembly of large scale structures.
类淀粉样蛋白形成高度有序的聚集体，如纤维和斑块，在此之前会组装形成多种无结构的寡聚体和原纤维。尽管它们在多种人类神经退行性疾病中具有重要作用，但对其动力学和热力学仍缺乏全面的了解。我们通过计算机模拟研究了一个通过实验确定的德亚金-朗道-韦弗-奥弗贝克势相互作用的类淀粉样分子现实模型，并推导了其相图。我们表明，纤维和斑块及其前体对应于不同的平衡和亚稳热力学相，并讨论了导致大规模结构成核和自组装的动力学机制。
