ArticleThe journal of physical chemistry. B2008
Coarse-grained molecular dynamics studies of the concentration and size dependence of fifth- and seventh-generation PAMAM dendrimers on pore formation in DMPC bilayer.
Article in The journal of physical chemistry. B, 2008. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 37 papers.
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Who cites it
37 citing papers in PubMed, 164 citations in OpenAlex.
- Current Developments in Native Nanometric Discoidal Membrane Bilayer Formed by Amphipathic Polymers.Nanomaterials (Basel, Switzerland) · 2021Review
- Fast bilayer-micelle fusion mediated by hydrophobic dipeptides.Biophysical journal · 2021Article
- The Martini Model in Materials Science.Advanced materials (Deerfield Beach, Fla.) · 2021Article
- Dendronized vesicles: formation, self-organization of dendron-grafted amphiphiles and stability.Nanoscale advances · 2021Article
- Article
- Molecular and Coarse-Grained Modeling to Characterize and Optimize Dendrimer-Based Nanocarriers for Short Interfering RNA Delivery.ACS omega · 2020Article
- Mechanistic Understanding From Molecular Dynamics Simulation in Pharmaceutical Research 1: Drug Delivery.Frontiers in molecular biosciences · 2020Review
- Multivalency in a Dendritic Host-Guest System.Macromolecules · 2019Article
- Bio-Preparation and Regulation of Pyrrole Structure Nano-Pigment Based on Biomimetic Membrane.Nanomaterials (Basel, Switzerland) · 2019Article
- New Advances in General Biomedical Applications of PAMAM Dendrimers.Molecules (Basel, Switzerland) · 2018Review
- Molecular Mechanism of Lipid Nanodisk Formation by Styrene-Maleic Acid Copolymers.Biophysical journal · 2018Article
- Mechanisms underlying interactions between PAMAM dendron-grafted surfaces with DPPC membranes.RSC advances · 2018Article
- Charge and hydration structure of dendritic polyelectrolytes: molecular simulations of polyglycerol sulphate.Soft matter · 2018Article
- Endocytic Uptake, Transport and Macromolecular Interactions of Anionic PAMAM Dendrimers within Lung Tissue.Pharmaceutical research · 2017Article
- In vitro blood cell viability profiling of polymers used in molecular assembly.Scientific reports · 2017Article
- Self-Assembly of Amphiphilic Dendrimers: The Role of Generation and Alkyl Chain Length in siRNA Interaction.Scientific reports · 2016Article
- Coarse-grained molecular dynamics studies of the translocation mechanism of polyarginines across asymmetric membrane under tension.Scientific reports · 2015Article
- Investigating Hydrophilic Pores in Model Lipid Bilayers Using Molecular Simulations: Correlating Bilayer Properties with Pore-Formation Thermodynamics.Langmuir : the ACS journal of surfaces and colloids · 2015Article
- Quantitative Measurement of Cationic Polymer Vector and Polymer-pDNA Polyplex Intercalation into the Cell Plasma Membrane.ACS nano · 2015Article
- Cooperative transmembrane penetration of nanoparticles.Scientific reports · 2015Article
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Authors and funding
2 authors at 2 institutions in 1 country.
Funding
Abstract
We have performed molecular dynamics (MD) simulations of multiple copies of unacetylated G5 and G7 and acetylated G5 dendrimers in dimyristoylphosphatidylcholine bilayers with explicit water using the coarse-grained model developed by Marrink et al. (J. Phys. Chem. B 2007, 111, 7812) with the inclusion of long-range electrostatics. When initially clustered together near the bilayer, neutral acetylated dendrimers aggregate, whereas cationic unacetylated dendrimers do not aggregate, but separate from each other, similar to the observations from atomic force microscopy by Mecke et al. (Chem. Phys. Lipids 2004, 132, 3). The bilayers interacting with unacetylated dendrimers of higher concentration are significantly deformed and show pore formation on the positively curved portions, while acetylated dendrimers are unable to form pores. Unacetylated G7 dendrimers bring more water molecules into the pores than do unacetylated G5 dendrimers. These results agree qualitatively with experimental results showing that significant cytoplasmic-protein leakage is produced by unacetylated G7 dendrimers at concentrations as low as 10 nM, but only at a much higher concentration of 400 nM for unacetylated G5 dendrimers (Bioconjugate Chem. 2004, 15, 774). This good qualitative agreement indicates that the effect on pore formation of the concentration and size of large nanoparticles can be studied through coarse-grained MD simulations, provided that long-range electrostatic interactions are included.
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