Assessing the interaction between surfactant-like peptides and lipid membranes
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2017
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Atomistic 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.
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MALASPINA, 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.