Dresden 2017 – wissenschaftliches Programm
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DY: Fachverband Dynamik und Statistische Physik
DY 3: Computational Biophysics (joint BP/DY)
DY 3.8: Vortrag
Montag, 20. März 2017, 11:45–12:00, ZEU 250
Determinants of nanoparticle protein corona composition investigated with molecular dynamics simulations — •Giovanni Settanni1, Jiajia Zhuo1, Tongchuan Suo1, Susanne Schöttler2,3, Katharina Landfester2, Friederike Schmid1, and Volker Mailänder2,3 — 1Department of Physics, Johannes Gutenberg University Mainz — 2Max-Planck Institute for Polymer Research — 3Department of Dermatology, University Medical Center Mainz
Therapeutic nanoparticles in contact with biological fluids (blood, lung surfactant, etc.) are quickly covered by a layer of proteins (corona), which determines the particle's fate in the host organism (circulation half-life, cellular uptake, tissue distribution, immune response, etc.). Nanoparticles' surfaces are often modified (adding polymer coatings, or functionalization groups etc.) to improve their therapeutic efficacy, which involve a modification of the nanoparticle protein corona composition. The molecular factors determining the corona composition of nanoparticles are not very well understood, yet. Here we use molecular dynamics simulations to investigate the non-covalent interactions taking place between several blood proteins and poly(ethylene glycol) (PEG), a hydrophilic polymer commonly used to coat nanoparticles for improved efficacies. The simulations reveal recurring patterns of interaction involving specific amino acids. The latter could be used for the development of coarse grained representations of protein-PEG interactions and may provide the basis for understanding the properties of protein coronas formed around PEGylated nanoparticles.