Assessing the interaction between surfactant-like peptides and lipid membranes

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dc.citation.issue57
dc.citation.volume7
dc.contributor.authorMalaspina, Thaciana [UNIFESP]
dc.contributor.authorColherinhas, Guilherme
dc.contributor.authorOuti, Felipe de Oliveira [UNIFESP]
dc.contributor.authorFileti, Eudes E. [UNIFESP]
dc.coverageCambridge
dc.date.accessioned2020-07-17T14:03:34Z
dc.date.available2020-07-17T14:03:34Z
dc.date.issued2017
dc.description.abstractAtomistic molecular dynamics simulations were used to study the interaction of AnK peptides (with n = 3, 6 and 9) in contact with two different types of lipid membranes, DPPC and DPPG. PMF calculations and their decomposition into enthalpic and entropic components allowed a detailed thermodynamic analysis of the energy profile associated with the adsorption and penetration of the peptides through the lipid membranes. Our simulations indicated a drastic difference between the interactions of the peptides with both membranes. For the peptide A6K the interaction with the DPPG and DPPC membranes were -222 kJ mol(-1) and-16 kJ mol(-1), respectively. PMF for the DPPC membrane did not show any minimum in the interface region, that is, no favorable interaction with its surface. On the other hand, the interaction with the DPPG membrane showed a clear minimum near the surface. This minimum, although shallow, -10 kJ mol(-1,) indicates that the adhesion of the AnK peptides on the surface of the DPPG membranes is a favorable process.en
dc.description.affiliationUniv Fed Goias, CEPAE, Dept Fis, CP 131, BR-74001970 Goiania, Go, Brazil
dc.description.affiliationUniv Fed Sao Paulo, Inst Ciencia & Tecnol, BR-12231280 Sao Jose Dos Campos, SP, Brazil
dc.description.affiliationUnifespUniv Fed Sao Paulo, Inst Ciencia & Tecnol, BR-12231280 Sao Jose Dos Campos, SP, Brazil
dc.description.sourceWeb of Science
dc.description.sponsorshipCAPES
dc.description.sponsorshipFAPESP
dc.description.sponsorshipFAPEG
dc.format.extent35973-35981
dc.identifierhttp://dx.doi.org/10.1039/c7ra04537a
dc.identifier.citationRsc Advances. Cambridge, v. 7, n. 57, p. 35973-35981, 2017.
dc.identifier.doi10.1039/c7ra04537a
dc.identifier.fileWOS000406104300049.pdf
dc.identifier.issn2046-2069
dc.identifier.urihttps://repositorio.unifesp.br/handle/11600/55508
dc.identifier.wosWOS:000406104300049
dc.language.isoeng
dc.publisherRoyal Soc Chemistry
dc.relation.ispartofRsc Advances
dc.rightsinfo:eu-repo/semantics/openAccess
dc.titleAssessing the interaction between surfactant-like peptides and lipid membranesen
dc.typeinfo:eu-repo/semantics/article
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