SKM 2023 – wissenschaftliches Programm
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BP: Fachverband Biologische Physik
BP 11: Poster Session I
BP 11.27: Poster
Dienstag, 28. März 2023, 12:30–15:30, P1
Determinants of lipid-based nanoparticle structure and stability investigated using molecular dynamics simulations — •Jonas Paulus1 and Giovanni Settanni1,2 — 1Department of Physics, Johannes Gutenberg University Mainz, Germany — 2Faculty of Physics and Astronomy, Ruhr University Bochum, Germany
mRNA-based therapeutics represent an effective tool to fight several diseases including viral infections, as demonstrated by the COVID-19 vaccination campaign, and cancer. To protect the mRNA from the harsh conditions in a human body, the polyanion is packed into a lipid-based nanoparticle (LNP). This delivery vehicle, although effective, still presents some problems like strict storage requirements, low fraction of successfully delivered mRNA as well as undesirable reactions in some patients. The source of these problems as well as solution approaches are topic of a promising research field. Here we use molecular dynamics simulations to provide a characterization of the internal structure of LNPs and lipid-based nanomaterials for the delivery of RNA. In particular we measure how several observables obtained from different lipid formulations, like the flexibility of bilayers, the tendency to phase separation, the pattern of interactions or behavior under different pH values are related to experimentally measured physico-chemical characteristics as well as to the transfection efficiency. Such structural information could help design more effective lipid formulations for mRNA delivery.