Theoretical study of the interaction between carbon nanotubes and carboplatin anticancer molecules - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Analytical Methods Année : 2015

Theoretical study of the interaction between carbon nanotubes and carboplatin anticancer molecules

Résumé

Full DFT calculations were carried out to study the interactions between single-wall functionalized carbon-based metallic nanotubes (CNTs) and carboplatin anticancer drugs. The geometry of the CNT-carboplatin was optimized considering different molecular configurations on inner and outer surfaces of the nanotubes. Simulation results show that the most stable physisorption state for molecules is to be located inside the nanotubes in a parallel configuration. Furthermore{,} we demonstrated that the molecular physisorption was reinforced as soon as the number of encapsulated carboplatin molecules increased{,} leading to a favored state where the nanovector is filled by the drug. Moreover{,} all theoretical results show that the therapeutic agent is not affected when it is attached onto CNTs
Fichier principal
Vignette du fichier
e6186ccd-4476-43e3-a547-388fbce97fd2-author.pdf (1.5 Mo) Télécharger le fichier
Origine : Fichiers produits par l'(les) auteur(s)
Loading...

Dates et versions

hal-02868341 , version 1 (15-06-2020)

Identifiants

  • HAL Id : hal-02868341 , version 1

Citer

Mohamed El Khalifi, Eric Duverger, Hatem Boulahdour, Fabien Picaud. Theoretical study of the interaction between carbon nanotubes and carboplatin anticancer molecules. Analytical Methods, 2015, 7 (24), pp.10145 - 10150. ⟨hal-02868341⟩
35 Consultations
61 Téléchargements

Partager

Gmail Facebook X LinkedIn More