Investigating the Impact of the Glycolipid Content on Aurein 1.2 Pores in Prokaryotic Model Bilayers: A Coarse-Grain Molecular Dynamics Simulation Study
ANTIMICROBIAL RESISTANCE
https://purl.org/becyt/ford/1.6
https://purl.org/becyt/ford/3.1
Lipid Bilayers
Cell Membrane
MOLECULAR DYNAMICS
https://purl.org/becyt/ford/3
Molecular Dynamics Simulation
Glycolipids
ANTIMICROBIAL PEPTIDES
https://purl.org/becyt/ford/1
Antimicrobial Cationic Peptides
DOI:
10.1021/acs.jpcb.3c01053
Publication Date:
2023-05-31T15:17:00Z
AUTHORS (3)
ABSTRACT
Aurein 1.2 is an antimicrobial peptide (AMP) with known lytic activity against bacterial membranes. Our previous studies revealed a differential action of aurein by both experimental and computational methods. This differential action was over membranes of two related probiotic strains, where the main difference between membranes was the number of glycolipids in the lipid composition. In this work, we aimed to investigate the interaction of aurein 1.2 with model bacterial membranes of varying glycolipid content. To this end, we performed extensive molecular dynamics simulations using the MARTINI coarse-grain force field and differential mixtures of phosphatidylglycerol (PG), phosphatidylethanolamine (PE), and monogalactosylglycerol (MG). We found a correlation between the presence of MG in PG/PE mixtures and the difficulty of aurein to stabilize pore structures, suggesting an AMP-resistance factor encoded in the lipid composition of the membrane. These findings may shed light on a possible mechanism of bacterial resistance to AMPs that is related to the glycolipid content of bacterial membranes.
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