Ontology highlight
ABSTRACT:
SUBMITTER: Mehrazma B
PROVIDER: S-EPMC6225248 | biostudies-literature | 2018 Sep
REPOSITORIES: biostudies-literature
Mehrazma Banafsheh B Opare Stanley S Petoyan Anahit A Rauk Arvi A
Molecules (Basel, Switzerland) 20180918 9
A causative factor for neurotoxicity associated with Alzheimer's disease is the aggregation of the amyloid-β (Aβ) peptide into soluble oligomers. Two all d-amino acid pseudo-peptides, SGB1 and SGD1, were designed to stop the aggregation. Molecular dynamics (MD) simulations have been carried out to study the interaction of the pseudo-peptides with both Aβ<sub>13⁻23</sub> (the core recognition site of Aβ) and full-length Aβ<sub>1⁻42</sub>. Umbrella sampling MD calculations have been used to estima ...[more]