Dresden 2026 – wissenschaftliches Programm
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BP: Fachverband Biologische Physik
BP 31: Focus Session: Theoretical Modeling and Simulation of Biomolecular Condensates II (joint session CPP/BP)
BP 31.3: Vortrag
Donnerstag, 12. März 2026, 12:00–12:15, ZEU/0260
Simulation Insights into the Assembly of Polyplexes for RNA Delivery — •Jonas Hans Lehnen1, Jorge Moreno Herrero3, Heinrich Haas3, Friederike Schmid1, and Giovanni Settanni1,2 — 1Department of Physics, Johannes-Gutenberg University Mainz — 2Faculty of Physics and Astronomy, Ruhr University Bochum — 3BioNTech SE, Mainz
RNA-based pharmaceuticals proved successful with the COVID-19 vaccines and are now undergoing clinical trials for a broad range of therapeutic indications. Lipid-based nanoparticles (LNPs) have been used so far as delivery systems, although alternatives are still needed to meet efficacy and safety requirements across a broader range of applications. Polyplexes, formed by the self-assembly of cationic polymers with the anionic nucleic acids, constitute a valuable substitute, especially if precise control of the number and shape of the encapsulated RNA chains is possible. Here[1], we use molecular dynamics simulations of a coarse-grained polyplex model to show that the most important factors controlling it are the charge ratio between polyelectrolytes and RNA and their concentration during assembly. Close to the isoelectric point, the polyplexes are large, whereas in large excess of cationic polymer, their size decreases, allowing one RNA copy per nanoparticle. Our results are consistent with recent experimental work on polyethylenimine polyplexes.
[1] Simulation Insights into the Assembly of Polyplexes for RNA Delivery, Lehnen et al., Biomacromolecules (2025), DOI: 10.1021/acs.biomac.5c01219
Keywords: Aggregation; Genetics; Nanoparticles; Polyethylenimine; Polymers