Docking and Molecular Dynamics-Based Identification of Interaction between Various Beta-Amyloid Isoforms and RAGE Receptor.

ABSTRACT: Beta-amyloid peptide (Aβ) is a ligand associated with RAGE (Advanced glycosylation end product-specific receptor). Aβ is translocated in complexes with RAGE from the blood to brain across the blood-brain barrier (BBB) by transcytosis. Aβ and its isoforms are important factors in the Alzheimer's disease (AD) pathogenesis. However, interaction with RAGE was previously studied for Aβ but not for its isoforms. The present study has been directed at identifying the key interaction interfaces between RAGE and Aβ isoforms (Aβ₄₀, Aβ₄₂, phosphorylated and isomerized isoforms pS8-Aβ₄₂, isoD7-Aβ₄₂). Two interfaces have been identified by docking: they are represented by an extended area at the junction of RAGE domains V and C1 and a smaller area linking C1

SUBMITTER: Tolstova AP 

PROVIDER: S-EPMC9570301 | biostudies-literature | 2022 Oct

REPOSITORIES: biostudies-literature