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Opposing effects of cationic antimicrobial peptides and divalent cations on bacterial lipopolysaccharides

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dc.contributor.authorSmart, Matthew
dc.contributor.authorRajagopal, Aruna
dc.contributor.authorLiu, Wing-Ki
dc.contributor.authorHa, Bae-Yeun
dc.date.accessioned2017-11-07T16:22:12Z
dc.date.available2017-11-07T16:22:12Z
dc.date.issued2017-10-09
dc.description© 2017 American Physical Societyen
dc.description.abstractThe permeability of the bacterial outer membrane, enclosing Gram-negative bacteria, depends on the interactions of the outer, lipopolysaccharide (LPS) layer, with surrounding ions and molecules. We present a coarse-grained model for describing how cationic amphiphilic molecules (e.g., antimicrobial peptides) interact with and perturb the LPS layer in a biologically relevant medium, containing monovalent and divalent salt ions (e.g., Mg2+). In our approach, peptide binding is driven by electrostatic and hydrophobic interactions and is assumed to expand the LPS layer, eventually priming it for disruption. Our results suggest that in parameter ranges of biological relevance (e.g., at micromolar concentrations) the antimicrobial peptide magainin 2 effectively disrupts the LPS layer, even though it has to compete with Mg2+ for the layer. They also show how the integrity of LPS is restored with an increasing concentration of Mg2+. Using the approach, we make a number of predictions relevant for optimizing peptide parameters against Gram-negative bacteria and for understanding bacterial strategies to develop resistance against cationic peptides.en
dc.description.sponsorshipNatural Sciences and Engineering Research Council (NSERC) of Canadaen
dc.identifier.urihttp://dx.doi.org/10.1103/PhysRevE.96.042405
dc.identifier.urihttp://hdl.handle.net/10012/12613
dc.language.isoenen
dc.publisherAmerican Physical Societyen
dc.subjectOuter-Membrane Permeabilityen
dc.subjectBiological-Activityen
dc.subjectPore Formationen
dc.subjectFree-Energyen
dc.subjectResistanceen
dc.subjectModelsen
dc.subjectNanoparticlesen
dc.subjectElasticityen
dc.subjectProteinsen
dc.subjectValenceen
dc.titleOpposing effects of cationic antimicrobial peptides and divalent cations on bacterial lipopolysaccharidesen
dc.typeArticleen
dcterms.bibliographicCitationSmart, M., Rajagopal, A., Liu, W.-K., & Ha, B.-Y. (2017). Opposing effects of cationic antimicrobial peptides and divalent cations on bacterial lipopolysaccharides. Physical Review E, 96(4). https://doi.org/10.1103/PhysRevE.96.042405en
uws.contributor.affiliation1Faculty of Scienceen
uws.contributor.affiliation2Physics and Astronomyen
uws.peerReviewStatusRevieweden
uws.scholarLevelFacultyen
uws.typeOfResourceTexten

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