Universidade Nova de Lisboa. Instituto de Tecnologia Química e Biológica António Xavier
Abstract
"Ceramides constitute a class of lipids found in different locations such as the outer
mitochondrial membrane (OMM), whose permeabilization is a point-of-no-return in apoptosis.
This phenomenon has been linked to the Voltage Dependent Anion Channel (VDAC), with
which Ceramides can interact via a membrane-buried Glutamate residue in isoforms 1 and 2.
To study the role of Ceramides in apoptosis, a Coarse Grain (CG) model of this lipid
was created and subsequently optimized in terms of Solvent Accessible Surface Area and
topology parameters. The latter were developed through a trial-and-error approach until the
CG behavior resembled the atomistic references. The obtained parameters were further tested
but results were inconclusive, probably due to the method used. Nevertheless, preliminary
data demonstrated the model to properly interact with the Glutamate of VDAC."N/
