Programme

P.59 -- Poster, VCTP-48

Date: Thursday, 3 August 2023

Time: 08:30 - 10:00

Transmembrane Amyloid β-Peptide Structures: In Silico Study

Son Tung Ngo

Laboratory of Biophysics, Institute for Advanced Study in Technology, Ton Duc Thang University, Ho Chi Minh City, Vietnam

Amyloid beta (Aβ) peptides are considered the major causative agents of Alzheimer’s disease (AD). In a widely accepted mechanism for AD pathogenesis, Aβ peptides are proposed to play multiple roles in damaging brain cells and their synaptic communications. Due to the heterogeneous nature Aβ oligomers, their in vivo structures have not been understood. Most experimental and computational studies favored β-rich structures of Aβ as observed in Aβ fibrils. To determine the putative structures of the transmembrane Aβ oligomers, the temperature replica exchange molecular dynamics (REMD) simulations with an explicit solvent has been employed to monitor its structural change when the membrane DPPC lipid bilayers is induced. The initial structure of the oligomers was modelled based on the current low-resolution data of these conformations. The physical insights into the forming transmembrane Aβ oligomers probably enhance the AD therapy.

Presenter: Ngo Son Tung