Encapsulation into carbon nanotubes and release of anticancer Cisplatin drug molecule.

Date publication

janvier 2015

Journal

The journal of physical chemistry. B

Auteurs

Membres identifiés du Cancéropôle Est :
Dr PICAUD Fabien

Tous les auteurs :
Mejri A, Vardanega D, Tangour B, Gharbi T, Picaud F

Lien Pubmed

https://www.ncbi.nlm.nih.gov/pubmed/25514358

Résumé

Molecular dynamics simulations have been investigated to study the interactions between single-wall carbon nanotubes and an anticancer agent Pt complex (Cisplatin). The optimized diameter of the vector system has been determined to encapsulate in the best conditions the drug molecules. The simulation results show also that several drug molecules can be adsorbed inside the nanotubes, leading to an increased confinement time. Moreover, our simulations show that the release of the drug near a cell membrane model is favored, opening the way to a natural drug nanocapsule.

Mots clés

Antineoplastic Agents, chemistry, Capsules, Cell Membrane, chemistry, Cisplatin, chemistry, Drug Liberation, Hydrophobic and Hydrophilic Interactions, Molecular Conformation, Molecular Dynamics Simulation, Nanotubes, Carbon, chemistry, Static Electricity

Référence

J Phys Chem B. 2015 Jan 15;119(2):604-11