Morphological Determinants of Carbon Nanomaterial-Induced Amyloid Peptide Self-Assembly.

ABSTRACT: Hybridizing carbon nanomaterials (CNMs) with amyloid fibrils-the ordered nanostructures self-assembled by amyloidogenic peptides-has found promising applications in bionanotechology. Understanding fundamental interactions of CNMs with amyloid peptides and uncovering the determinants of their self-assembly structures and dynamics are, therefore, pivotal for enriching and enabling this novel class of hybrid nanomaterials. Here, we applied atomistic molecular dynamics simulations to investigate the self-assembly of two amyloid peptides-the amyloidogenic core residues 16-22 of amyloid-β (Aβ_16-22) and the non-amyloid-β core of α-synuclein (NACore_68-78)-on the surface of carbon nanotubes (CNT) with different sizes and chirality. Our computational results showed that with sm

SUBMITTER: Xing Y 

PROVIDER: S-EPMC7076083 | biostudies-literature | 2020

REPOSITORIES: biostudies-literature