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dc.contributor.authorShahane, G
dc.contributor.authorDing, W
dc.contributor.authorPalaiokostas, M
dc.contributor.authorAzevedo, HS
dc.contributor.authorOrsi, M
dc.date.accessioned2019-09-10T14:36:33Z
dc.date.available2019-05-03
dc.date.available2019-09-10T14:36:33Z
dc.date.issued2019-05-16
dc.identifier.citationShahane, Ganesh et al. "Interaction Of Antimicrobial Lipopeptides With Bacterial Lipid Bilayers". The Journal Of Membrane Biology, 2019. Springer Science And Business Media LLC, doi:10.1007/s00232-019-00068-3. Accessed 10 Sept 2019.en_US
dc.identifier.urihttps://qmro.qmul.ac.uk/xmlui/handle/123456789/59600
dc.description.abstractThe resistance of pathogens to traditional antibiotics is currently a global issue of enormous concern. As the discovery and development of new antibiotics become increasingly challenging, synthetic antimicrobial lipopeptides (AMLPs) are now receiving renewed attention as a new class of antimicrobial agents. In contrast to traditional antibiotics, AMLPs act by physically disrupting the cell membrane (rather than targeting specific proteins), thus reducing the risk of inducing bacterial resistance. In this study, we use microsecond-timescale atomistic molecular dynamics simulations to quantify the interaction of a short AMLP (C16-KKK) with model bacterial lipid bilayers. In particular, we investigate how fundamental transmembrane properties change in relation to a range of lipopeptide concentrations. A number of structural, mechanical, and dynamical features are found to be significantly altered in a non-linear fashion. At 10 mol% concentration, lipopeptides have a condensing effect on bacterial bilayers, characterized by a decrease in the area per lipid and an increase in the bilayer order. Higher AMLP concentrations of 25 and 40 mol% destabilize the membrane by disrupting the bilayer core structure, inducing membrane thinning and water leakage. Important transmembrane properties such as the lateral pressure and dipole potential profiles are also affected. Potential implications on membrane function and associated proteins are discussed.en_US
dc.languageeng
dc.publisherSpringeren_US
dc.relation.ispartofJ Membr Biol
dc.rightsThis article is distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made.
dc.rightsAttribution 3.0 United States*
dc.rights.urihttp://creativecommons.org/licenses/by/3.0/us/*
dc.subjectAntimicrobial lipopeptidesen_US
dc.subjectLipid bilayersen_US
dc.subjectMolecular dynamicsen_US
dc.subjectMolecular simulationen_US
dc.titleInteraction of Antimicrobial Lipopeptides with Bacterial Lipid Bilayers.en_US
dc.typeArticleen_US
dc.rights.holder© The Author(s) 2019
dc.identifier.doi10.1007/s00232-019-00068-3
pubs.author-urlhttps://www.ncbi.nlm.nih.gov/pubmed/31098677en_US
pubs.notesNot knownen_US
pubs.publication-statusPublished onlineen_US
dcterms.dateAccepted2019-05-03
rioxxterms.funderDefault funderen_US
rioxxterms.identifier.projectDefault projecten_US
rioxxterms.funder.projecteea3a0cf-7193-42f5-a8db-415e0e874d28en_US


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This article is distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made.
Except where otherwise noted, this item's license is described as This article is distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made.