A comprehensive study in triblock copolymer membrane interaction

Pembouong, Gaëlle; Morellet, Nelly; Kral, Teresa; Hof, Martin; Scherman, Daniel; Bureau, Michel-Francis; Mignet, Nathalie

doi:10.1016/j.jconrel.2011.01.007

Cited by 28 publications

(32 citation statements)

References 45 publications

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“…In particular, from the beginning of the simulation chains are released from the micelle to the water phase and starting from about 1 µs insertions of Pluronic triblock chains 25 inside the bilayer can be observed. This behavior is in agreement with the experimental one reported by Pemboung et al 46 In particular, 1 H-NMR and spin labeled probes results suggest a release of L64 chains inside dodecylphosphocoline (DPC) and DPPC micelles. 30 Simulations snapshots show that chains attach to the lipid bilayer inserting the hydrophobic segment made of PO beads in the hydrophobic portion of the bilayer.…”

Section: Micelle In Contact With Dppc Bilayersupporting

confidence: 92%

Micellar drug nanocarriers and biomembranes: how do they interact?

Nicola

Hezaveh

Zhao

et al. 2014

Phys. Chem. Chem. Phys.

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5Pluronics based formulations are among the most successful nanomedicines and block-copolymer micelles including drugs are undergoing phase I/II studies as anticancer agents. Using coarse-grained models, molecular dynamics simulations of large-scale systems, modeling Pluronic micelles interacting with DPPC lipid bilayers, on the µs timescale have been performed. Simulations show, in agreement with experiments, a release of Pluronic chains from the micelle to the bilayer. This release changes the size of 10 the micelle. Moreover, the presence of drug molecules inside the core of the micelle has a strong influence on this process. The picture emerging from the simulations is that the micelle stability is a result of an interplay between drug/micelle core and block-copolymer/bilayer interactions. The equilibrium size of the drug vector shows a strong dependency on the hydrophobicity of the drug molecules embedded into the core of the micelle. In particular, the radius of the micelle shows an abrupt increase in a very 15 narrow range of drug molecule hydrophobicity.

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Section: Micelle In Contact With Dppc Bilayersupporting

confidence: 92%

Micellar drug nanocarriers and biomembranes: how do they interact?

Nicola

Hezaveh

Zhao

et al. 2014

Phys. Chem. Chem. Phys.

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“…Poloxamers are a group of triblock copolymer molecules (these molecules are also known by their commercial names, one of which is Pluronics©) that have been intensely studied recently due to their wide application in industrial and research environments [1][2][3][4][5][6][7][8][9][10][11][12][13][14] .…”

Section: Introductionmentioning

confidence: 99%

Behavior of P85 and P188 Poloxamer Molecules: Computer Simulations Using United-Atom Force-Field

Goliaei¹,

Lau

Adhikari³

et al. 2016

J. Phys. Chem. B

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To study the interaction between poloxamer molecules and lipid bilayers using molecular dynamics simulation technique with the united-atom resolution, we augmented the GROMOS force-field to include poloxamers. We validated the force-field by calculating the radii of gyration of two poloxamers, P85 and P188, solvated in water and by considering the poloxamer density distributions at the air/water interface. The emphasis of our simulations was on the study of the interaction between poloxamers and lipid bilayer. At the water/lipid bilayer interface, we observed that both poloxamers studied, P85 and P188, behaved like surfactants: the hydrophilic blocks of poloxamers became adsorbed at the polar interface, while their hydrophobic block penetrated the interface into the aliphatic tail region of the lipid bilayer. We also observed that when P85 and P188 poloxamers interacted with damaged membranes that contained pores, the hydrophobic blocks of copolymers penetrated into the membrane in the vicinity of the pore and compressed the membrane. Due to this compression, water molecules were evacuated from the pore.

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“…A concentration dependent change in binding mechanism was also predicted by molecular dynamics simulations for poloxamer binding to lipid membranes 8 and a concentration dependent change in the sign of DT m was also shown for poloxamer binding to DPPC vesicles. 9 The difference in the inuence of GP and F-GP binding on T m of DPPC membranes seems to be small. However, slightly narrower transitions are observed for mixtures with F-GP.…”

mentioning

confidence: 96%

Binding of amphiphilic and triphilic block copolymers to lipid model membranes: the role of perfluorinated moieties

et al. 2014

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A novel class of symmetric amphi-and triphilic (hydrophilic, lipophilic, fluorophilic) block copolymers has been investigated with respect to their interactions with lipid membranes. The amphiphilic triblock copolymer has the structure PGMA 20 -PPO 34 -PGMA 20 (GP) and it becomes triphilic after attaching perfluoroalkyl moieties (F9) to either end which leads to F 9 -PGMA 20 -PPO 34 -PGMA 20 -F 9 (F-GP). The hydrophobic poly(propylene oxide) (PPO) block is sufficiently long to span a lipid bilayer. The poly(glycerol monomethacrylate) (PGMA) blocks have a high propensity for hydrogen bonding. The hydrophobic and lipophobic perfluoroalkyl moieties have the tendency to phase segregate in aqueous as well as in hydrocarbon environments. We performed differential scanning calorimetry (DSC) measurements on polymer bound lipid vesicles under systematic variation of the bilayer thickness, the nature of the lipid headgroup, and the polymer concentration. The vesicles were composed of phosphatidylcholines (DMPC, DPPC, DAPC, DSPC) or phosphatidylethanolamines (DMPE, DPPE, POPE). We showed that GP as well as F-GP binding have membrane stabilizing and destabilizing components.PPO and F9 blocks insert into the hydrophobic part of the membrane concomitantly with PGMA block adsorption to the lipid headgroup layer. The F9 chains act as additional membrane anchors. The insertion of the PPO blocks of both GP and F-GP could be proven by 2D-NOESY NMR spectroscopy. By fluorescence microscopy we show that F-GP binding increases the porosity of POPC giant unilamellar vesicles (GUVs), allowing the influx of water soluble dyes as well as the translocation of the complete triphilic polymer and its accumulation at the GUV surface. These results open a new route for the rational design of membrane systems with specific properties.

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A comprehensive study in triblock copolymer membrane interaction

Cited by 28 publications

References 45 publications

Micellar drug nanocarriers and biomembranes: how do they interact?

Micellar drug nanocarriers and biomembranes: how do they interact?

Behavior of P85 and P188 Poloxamer Molecules: Computer Simulations Using United-Atom Force-Field

Binding of amphiphilic and triphilic block copolymers to lipid model membranes: the role of perfluorinated moieties

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