Determining the orientation of protegrin-1 in DLPC bilayers using an implicit solvent-membrane model.

ABSTRACT: Continuum models that describe the effects of solvent and biological membrane molecules on the structure and behavior of antimicrobial peptides, holds a promise to improve our understanding of the mechanisms of antimicrobial action of these peptides. In such methods, a lipid bilayer model membrane is implicitly represented by multiple layers of relatively low dielectric constant embedded in a high dielectric aqueous solvent, while an antimicrobial peptide is accounted for by a dielectric cavity with fixed partial charge at the center of each one of its atoms. In the present work, we investigate the ability of continuum approaches to predict the most probable orientation of the beta-hairpin antimicrobial peptide Protegrin-1 (PG-1) in DLPC lipid bilayers by calculating the difference in the

SUBMITTER: Sayyed-Ahmad A 

PROVIDER: S-EPMC2652109 | biostudies-literature | 2009

REPOSITORIES: biostudies-literature