ArticleNano letters2024
Molecular Dynamics Simulations Elucidate the Molecular Organization of Poly(beta-amino ester) Based Polyplexes for siRNA Delivery.
Article in Nano letters, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
5 citing papers in PubMed.
- QbD product development: rapid optimization and scale-up of PBAE-based siRNA deliveryRSC pharmaceutics · 2026Article
- A Computational Modeling for Reconfigurable Biosensors.BioNanoScience · 2026Article
- From Bits to Bonds: High-Throughput Virtual Screening of Ribonucleic Acid Nanocarriers Using a Combinatorial Approach of Machine Learning and Molecular Dynamics.Journal of the American Chemical Society · 2025Article
- How can simulations aid our understanding of nanoparticle-mediated siRNA delivery?Therapeutic delivery · 2025Article
- Nebulization of RNA-Loaded Micelle-Embedded Polyplexes as a Potential Treatment of Idiopathic Pulmonary Fibrosis.ACS applied materials & interfaces · 2025Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
8 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Cationic polymers are known to efficiently deliver nucleic acids to target cells by encapsulating the cargo into nanoparticles. However, the molecular organization of these nanoparticles is often not fully explored. Yet, this information is crucial to understand complex particle systems and the role influencing factors play at later stages of drug development. Coarse-grained molecular dynamics (CG-MD) enables modeling of systems that are the size of real nanoparticles, providing meaningful insights into molecular interactions between polymers and nucleic acids. Herein, the particle assembly of variations of an amphiphilic poly(beta-amino ester) (PBAE) with siRNA was simulated to investigate the influence of factors such as polymer lipophilicity and buffer conditions on the nanoparticle structure. Simulations were validated by wet lab methods including nuclear magnetic resonance (NMR) and align well with experimental findings. Therefore, this work emphasizes that CG-MD simulations can provide underlying explanations of experimentally observed nanoparticle properties by visualizing the nanoscale structure of polyplexes.
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Registered trials
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