ArticleBiophysical journal2009
Molecular dynamics simulations of DNA-polycation complex formation.
Article in Biophysical journal, 2009. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 26 papers.
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Who cites it
26 citing papers in PubMed, 98 citations in OpenAlex.
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- Simulation Insights into the Assembly of Polyplexes for RNA Delivery.Biomacromolecules · 2025Article
- Role of Charge Density of Polycations in DNA Complexation and Condensation.Biomolecules · 2025Article
- Polymer Nano-Carrier-Mediated Gene Delivery: Visualizing and Quantifying DNA Encapsulation Using dSTORM.Small (Weinheim an der Bergstrasse, Germany) · 2025Article
- NEAT1 modulates the TIRR/53BP1 complex to maintain genome integrity.Nature communications · 2024Article
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- Experimental study of a nanoscale translocation ratchet.Proceedings of the National Academy of Sciences of the United States of America · 2022Article
- Foliar Delivery of siRNA Particles for Treating Viral Infections in Agricultural Grapevines.Advanced functional materials · 2021Article
- Coacervate formation studied by explicit solvent coarse-grain molecular dynamics with the Martini model.Chemical science · 2021Article
- Scaffolds as Structural Tools for Bone-Targeted Drug Delivery.Pharmaceutics · 2018Review
- DNA-Polyelectrolyte Complexation Study: The Effect of Polyion Charge Density and Chemical Nature of the Counterions.The journal of physical chemistry. B · 2018Article
- Destabilizing the AXH Tetramer by Mutations: Mechanisms and Potential Antiaggregation Strategies.Biophysical journal · 2018Article
- Tuning DNA Condensation with Zwitterionic Polyamidoamine (zPAMAM) Dendrimers.Macromolecules · 2017Article
- Molecular dynamics study on the mechanism of polynucleotide encapsulation by chitosan.Scientific reports · 2017Article
- Optimization of Polyplex Formation between DNA Oligonucleotide and Poly(ʟ-Lysine): Experimental Study and Modeling Approach.International journal of molecular sciences · 2017Article
- Synthesis and Characterization of Dual-Sensitive Fluorescent Nanogels for Enhancing Drug Delivery and Tracking Intracellular Drug Delivery.International journal of molecular sciences · 2017Article
- Structural Comparisons of PEI/DNA and PEI/siRNA Complexes Revealed with Molecular Dynamics Simulations.The journal of physical chemistry. B · 2017Article
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- Oligoarginine peptides slow strand annealing and assist non-enzymatic RNA replication.Nature chemistry · 2016Article
Corrections and comments
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Authors and funding
2 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Complexes formed from DNA and polycations are of interest because of their potential use in gene therapy; however, there remains a lack of understanding of the structure and formation of DNA-polycation complexes at atomic scale. In this work, molecular dynamics simulations of the DNA duplex d(CGCGAATTCGCG) in the presence of polycation chains are carried out to shed light on the specific atomic interaction that result in complex formation. The structures of complexes formed from DNA with polyethylenimine, which is considered one of the most promising DNA vector candidates, and a second polycation, poly-L-lysine, are compared. After an initial separation of approximately 50 A, the DNA and polycation come together and form a stable complex within 10 ns. The DNA does not undergo any major structural changes on complexation and remains in the B-form. In the formed complex, the charged amine groups of the polycation mainly interact with DNA phosphate groups, with polycation intrusion into the major and minor grooves dependent on the identity and charge state of the polycation. The ability of the polycation to effectively neutralize the charge of the DNA phosphate groups and the resulting influence on the DNA helix interaction are discussed.
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.