Assessing the interaction between surfactant-like peptides and lipid membranes

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dc.creatorFileti, Thaciana Valentina Malaspina
dc.creatorOliveira, Guilherme Colherinhas de
dc.creatorOuti, Felipe de Oliveira
dc.creatorFileti, Eudes Eterno
dc.date.accessioned2023-04-27T12:20:43Z
dc.date.available2023-04-27T12:20:43Z
dc.date.issued2017
dc.description.abstractAtomistic molecular dynamics simulations were used to study the interaction of AnK peptides (with n ¼ 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.pt_BR
dc.identifier.citationMALASPINA, Thaciana; COLHERINHAS, Guilherme; OUTI, Felipe de Oliveira; FILETI, Eudes E. Assessing the interaction between surfactant-like peptides and lipid membranes. RSC Advances, Cambridge v. 7, p. 35973-35981, 2017. DOI: DOI: 10.1039/c7ra04537a. Disponível em: https://pubs.rsc.org/en/content/articlelanding/2017/ra/c7ra04537a. Acesso em: 26 abr. 2023.pt_BR
dc.identifier.doi10.1039/c7ra04537a
dc.identifier.issne- 2046-2069
dc.identifier.urihttp://repositorio.bc.ufg.br/handle/ri/22425
dc.language.isoengpt_BR
dc.publisher.countryGra-bretanhapt_BR
dc.publisher.departmentInstituto de Física - IF (RG)pt_BR
dc.rightsAcesso Abertopt_BR
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/*
dc.titleAssessing the interaction between surfactant-like peptides and lipid membranespt_BR
dc.typeArtigopt_BR

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