Transient Aurein 1.2 pores in prokaryotic model bilayers explored by coarse-grain molecular dynamics simulations: as glycolipid content increases, pore lifetime decreases

Autores
Balatti, Galo Ezequiel; Martini, María Florencia; Pickholz, Mónica Andrea
Año de publicación
2023
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The Aurein 1.2 is an anuran antimicrobial peptide (AMP) with a proven lytical activity against bacterial membranes. Previously, we found 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 differences between membranes were the number of glycolipids on lipid composition. In the present work, we focused on the differential behavior of the aurein 1.2 at its interaction with bacterium model membranes with different amounts of glycolipids in their composition. We carried out extensive molecular dynamics (MD) simulations by using the coarse-grain force field MARTINI and raising up 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. Through this study, we hope to shed light on a possible resistance mechanism to AMPs related with the glycolipid content of diverse types of bacterial membranes.
Fil: Balatti, Galo Ezequiel. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Física de Buenos Aires. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Física de Buenos Aires; Argentina
Fil: Martini, María Florencia. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Houssay. Instituto de Química y Metabolismo del Fármaco. Universidad de Buenos Aires. Facultad de Farmacia y Bioquímica. Instituto de Química y Metabolismo del Fármaco; Argentina
Fil: Pickholz, Mónica Andrea. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Física de Buenos Aires. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Física de Buenos Aires; Argentina
Materia
ANTIMICROBIAL PEPTIDES
MOLECULAR DYNAMICS
ANTIMICROBIAL RESISTANCE
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/219985
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/219985
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Transient Aurein 1.2 pores in prokaryotic model bilayers explored by coarse-grain molecular dynamics simulations: as glycolipid content increases, pore lifetime decreasesBalatti, Galo EzequielMartini, María FlorenciaPickholz, Mónica AndreaANTIMICROBIAL PEPTIDESMOLECULAR DYNAMICSANTIMICROBIAL RESISTANCEhttps://purl.org/becyt/ford/1.6https://purl.org/becyt/ford/1https://purl.org/becyt/ford/1.6https://purl.org/becyt/ford/1https://purl.org/becyt/ford/3.1https://purl.org/becyt/ford/3The Aurein 1.2 is an anuran antimicrobial peptide (AMP) with a proven lytical activity against bacterial membranes. Previously, we found 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 differences between membranes were the number of glycolipids on lipid composition. In the present work, we focused on the differential behavior of the aurein 1.2 at its interaction with bacterium model membranes with different amounts of glycolipids in their composition. We carried out extensive molecular dynamics (MD) simulations by using the coarse-grain force field MARTINI and raising up 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. Through this study, we hope to shed light on a possible resistance mechanism to AMPs related with the glycolipid content of diverse types of bacterial membranes.Fil: Balatti, Galo Ezequiel. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Física de Buenos Aires. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Física de Buenos Aires; ArgentinaFil: Martini, María Florencia. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Houssay. Instituto de Química y Metabolismo del Fármaco. Universidad de Buenos Aires. Facultad de Farmacia y Bioquímica. Instituto de Química y Metabolismo del Fármaco; ArgentinaFil: Pickholz, Mónica Andrea. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Física de Buenos Aires. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Física de Buenos Aires; ArgentinaCold Spring Harbor Laboratory Press2023-02info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/219985Balatti, Galo Ezequiel; Martini, María Florencia; Pickholz, Mónica Andrea; Transient Aurein 1.2 pores in prokaryotic model bilayers explored by coarse-grain molecular dynamics simulations: as glycolipid content increases, pore lifetime decreases; Cold Spring Harbor Laboratory Press; bioRxiv; 2023; 2-2023; 1-222692-8205CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://www.biorxiv.org/content/10.1101/2023.01.24.525384v1info:eu-repo/semantics/altIdentifier/url/https://doi.org/10.1101/2023.01.24.525384info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2026-03-31T14:58:59Zoai:ri.conicet.gov.ar:11336/219985instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982026-03-31 14:59:00.029CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Transient Aurein 1.2 pores in prokaryotic model bilayers explored by coarse-grain molecular dynamics simulations: as glycolipid content increases, pore lifetime decreases
title Transient Aurein 1.2 pores in prokaryotic model bilayers explored by coarse-grain molecular dynamics simulations: as glycolipid content increases, pore lifetime decreases
spellingShingle Transient Aurein 1.2 pores in prokaryotic model bilayers explored by coarse-grain molecular dynamics simulations: as glycolipid content increases, pore lifetime decreases
Balatti, Galo Ezequiel
ANTIMICROBIAL PEPTIDES
MOLECULAR DYNAMICS
ANTIMICROBIAL RESISTANCE
title_short Transient Aurein 1.2 pores in prokaryotic model bilayers explored by coarse-grain molecular dynamics simulations: as glycolipid content increases, pore lifetime decreases
title_full Transient Aurein 1.2 pores in prokaryotic model bilayers explored by coarse-grain molecular dynamics simulations: as glycolipid content increases, pore lifetime decreases
title_fullStr Transient Aurein 1.2 pores in prokaryotic model bilayers explored by coarse-grain molecular dynamics simulations: as glycolipid content increases, pore lifetime decreases
title_full_unstemmed Transient Aurein 1.2 pores in prokaryotic model bilayers explored by coarse-grain molecular dynamics simulations: as glycolipid content increases, pore lifetime decreases
title_sort Transient Aurein 1.2 pores in prokaryotic model bilayers explored by coarse-grain molecular dynamics simulations: as glycolipid content increases, pore lifetime decreases
dc.creator.none.fl_str_mv Balatti, Galo Ezequiel
Martini, María Florencia
Pickholz, Mónica Andrea
author Balatti, Galo Ezequiel
author_facet Balatti, Galo Ezequiel
Martini, María Florencia
Pickholz, Mónica Andrea
author_role author
author2 Martini, María Florencia
Pickholz, Mónica Andrea
author2_role author
author
dc.subject.none.fl_str_mv ANTIMICROBIAL PEPTIDES
MOLECULAR DYNAMICS
ANTIMICROBIAL RESISTANCE
topic ANTIMICROBIAL PEPTIDES
MOLECULAR DYNAMICS
ANTIMICROBIAL RESISTANCE
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.6
https://purl.org/becyt/ford/1
https://purl.org/becyt/ford/1.6
https://purl.org/becyt/ford/1
https://purl.org/becyt/ford/3.1
https://purl.org/becyt/ford/3
dc.description.none.fl_txt_mv The Aurein 1.2 is an anuran antimicrobial peptide (AMP) with a proven lytical activity against bacterial membranes. Previously, we found 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 differences between membranes were the number of glycolipids on lipid composition. In the present work, we focused on the differential behavior of the aurein 1.2 at its interaction with bacterium model membranes with different amounts of glycolipids in their composition. We carried out extensive molecular dynamics (MD) simulations by using the coarse-grain force field MARTINI and raising up 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. Through this study, we hope to shed light on a possible resistance mechanism to AMPs related with the glycolipid content of diverse types of bacterial membranes.
Fil: Balatti, Galo Ezequiel. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Física de Buenos Aires. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Física de Buenos Aires; Argentina
Fil: Martini, María Florencia. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Houssay. Instituto de Química y Metabolismo del Fármaco. Universidad de Buenos Aires. Facultad de Farmacia y Bioquímica. Instituto de Química y Metabolismo del Fármaco; Argentina
Fil: Pickholz, Mónica Andrea. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Física de Buenos Aires. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Física de Buenos Aires; Argentina
description The Aurein 1.2 is an anuran antimicrobial peptide (AMP) with a proven lytical activity against bacterial membranes. Previously, we found 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 differences between membranes were the number of glycolipids on lipid composition. In the present work, we focused on the differential behavior of the aurein 1.2 at its interaction with bacterium model membranes with different amounts of glycolipids in their composition. We carried out extensive molecular dynamics (MD) simulations by using the coarse-grain force field MARTINI and raising up 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. Through this study, we hope to shed light on a possible resistance mechanism to AMPs related with the glycolipid content of diverse types of bacterial membranes.
publishDate 2023
dc.date.none.fl_str_mv 2023-02
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/219985
Balatti, Galo Ezequiel; Martini, María Florencia; Pickholz, Mónica Andrea; Transient Aurein 1.2 pores in prokaryotic model bilayers explored by coarse-grain molecular dynamics simulations: as glycolipid content increases, pore lifetime decreases; Cold Spring Harbor Laboratory Press; bioRxiv; 2023; 2-2023; 1-22
2692-8205
CONICET Digital
CONICET
url http://hdl.handle.net/11336/219985
identifier_str_mv Balatti, Galo Ezequiel; Martini, María Florencia; Pickholz, Mónica Andrea; Transient Aurein 1.2 pores in prokaryotic model bilayers explored by coarse-grain molecular dynamics simulations: as glycolipid content increases, pore lifetime decreases; Cold Spring Harbor Laboratory Press; bioRxiv; 2023; 2-2023; 1-22
2692-8205
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://www.biorxiv.org/content/10.1101/2023.01.24.525384v1
info:eu-repo/semantics/altIdentifier/url/https://doi.org/10.1101/2023.01.24.525384
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Cold Spring Harbor Laboratory Press
publisher.none.fl_str_mv Cold Spring Harbor Laboratory Press
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 12.822162

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