IMPAM   23988
INSTITUTO DE INVESTIGACIONES EN MICROBIOLOGIA Y PARASITOLOGIA MEDICA
Unidad Ejecutora - UE
artículos
Título:
Coarse grained study of pluronic F127: Comparison with shorter co-polymers in its interaction with lipid bilayers and self-aggregation in water
Autor/es:
WOOD, IRENE; CUESTAS, M.LUJAN; ALBANO, J.; PICKHOLZ, M.; MARTINI, M. FLORENCIA; MATHET, VERÓNICA
Revista:
JOURNAL OF MOLECULAR STRUCTURE
Editorial:
ELSEVIER SCIENCE BV
Referencias:
Lugar: Amsterdam; Año: 2016 vol. 1109 p. 106 - 113
ISSN:
0022-2860
Resumen:
The aim of this work is to understand the interactions of the poloxamer Pluronic F127, with lipid bilayersand its ability to self-associate in an aqueous environment. Molecular dynamics simulations at thecoarse-grain scale were performed to address the behavior of single Pluronic F127 and shorter poloxamersunimers in palmitoyl-oleoyl-phosphatidyl-choline model membranes. According to the initialconditions and the poly-ethylene oxide/poly-propylene oxide composition, in water phase the unimerchain collapses into a coil conformation or adopts an interphacial U-shaped e or membrane spanning edistribution. A combination of poly-propylene oxide length, and the poly-ethylene oxide ability to coverpoly-propylene oxide, is determinant for the conformation adopted by the unimer in each phase. Resultsof the simulations showed molecular evidence of strong interaction between Pluronic F127 and modelmembranes both in stable U-shaped and span conformations. The knowledge of this interaction couldcontribute to improve drug permeation. Additionally, we investigated the aggregation of one hundredPluronic F127 unimers in water forming a micelle-like structure, suitable to be used as drug deliverysystem models.