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Viruses are extraordinarily diverse in shape and size, but they all have several structural features in common. All viruses have a core that contains a DNA- or RNA-based genome. The core is surrounded by a protective coat of proteins called the capsid. The capsid is composed of subunits called capsomeres. The capsid and genome-containing core are together known as the nucleocapsid.
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Not so rigid capsids based on cyclodextrin complexes: Keys to design.

Fabián Suárez-Lestón1, Pablo F Garrido1, Ángel Piñeiro1

  • 1Departamento de Física Aplicada, Facultade de Física, Universidade de Santiago de Compostela, E-15782 Santiago de Compostela, Spain.

Journal of Colloid and Interface Science
|June 2, 2022
PubMed
Summary
This summary is machine-generated.

Cyclodextrin-based membranes show tunable properties for nanocarrier applications. Molecular dynamics simulations reveal that altering components and temperature controls membrane structure, interactions, and permeability, enabling new functional capsides.

Keywords:
BilayersCyclodextrinsMembranesMolecular dynamics simulationsMonolayersSelf-assembly

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Area of Science:

  • Supramolecular Chemistry
  • Materials Science
  • Nanotechnology

Background:

  • Cyclodextrin complexes form functional nanocarrier envelopers through chemical modifications or ligand encapsulation.
  • These membranes offer potential for advanced drug delivery and biomimetic systems.

Purpose of the Study:

  • To investigate the structural and dynamic properties of cyclodextrin-based membranes.
  • To explore the influence of various parameters on membrane stability and permeability.
  • To provide insights for designing novel functional capsides and applications.

Main Methods:

  • Molecular dynamics simulations were employed to study monolayers and bilayers of cyclodextrin-ligand supramolecular complexes.
  • Simulations were conducted at two different temperatures (283 K and 298 K) using alpha or beta-cyclodextrin and sodium dodecylsulfate or dodecane as ligands.

Main Results:

  • The study demonstrated that membrane structure, stabilizing interactions, and permeability to water and ions are tunable.
  • Tuning is achieved by modifying the cyclodextrin type, ligand, number of layers, and temperature.
  • Evidence for the dynamic nature of these membranes and the interactions governing their stabilization was obtained.

Conclusions:

  • Cyclodextrin-based membranes exhibit controllable properties, making them promising for nanocarrier applications.
  • Understanding the molecular interactions and dynamics facilitates the rational design of functional capsides.
  • These findings pave the way for new applications leveraging the unique characteristics of cyclodextrin complexes.