Antimicrobial Peptides Interaction with Model Membranes Sampled by Molecular Dynamics Simulations

PICKHOLZ M.; CANCELARICH NATALIA L.; DOMENE C.; MARANI MARIELA M.

Buenos Aires

Conferencia; Statphys; 2019

Universidad de Buenos Aires

Molecular dynamics (MD) simulations is used to understand mechanism of action of antimicrobial peptides (AMPs) in membrane at the atomic level. There is expected more than one mechanism of peptides action give the wide variety of sequences and structures of naturally occurring AMPs. In order to design AMPs of therapeutic value further insights on the specific peptide-membrane interactions are needed. We carried out MD simulations considering to kinds of lipid bilayers: POPC and POPG/POPE mixtures that mimic mammalian and bacterial membranes respectively. As the AMP model we have chosen short peptide (ten amino acids) presen in the skyn of a Patagonian frog (Pleurodema somuncurense).