Amyloid ion channels have been postulated to disrupt the permeability and integrity of cell membranes causing neuron cell death, although the exact mechanism of amyloid ion channels associated with ion conductivity and selectivity still remains unclear. Here, we model and simulate a series of hIAPP ion channels with different channel sizes (12-mer to 36-mer) and structures (CNpNC and NCpCN) in DOPC bilayers to study the conductivity and selectivity of ions, the structures and dynamics of hIAPP channels and lipid bilayers. Molecular dynamics simulations show that both CNpNC and NCpCN channels of varied sizes are stable in the DOPC bilayers and exhibit poor selectivity for cations, but CNpNC and NCpCN channels induce preferential Cl- permeability across the bilayer in a complete opposite direction. As compared to experimental results of poor selectivity for all ions, a mechanism of hIAPP ion channels is proposed to bridge simulation and experimental results.

Molecular dynamics simulations of human islet amyloid polypeptide (hIAPP) ion channels in lipid bilayers

243rd National Meeting (2012)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.