Jump to main content
Jump to site search

Issue 24, 2015
Previous Article Next Article

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

Author affiliations

Abstract

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.

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

Back to tab navigation

Publication details

The article was received on 20 Mar 2015, accepted on 11 May 2015 and first published on 11 May 2015


Article type: Paper
DOI: 10.1039/C5AY00748H
Author version
available:
Download author version (PDF)
Citation: Anal. Methods, 2015,7, 10145-10150
  •   Request permissions

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

    M. El Khalifi, E. Duverger, H. Boulahdour and F. Picaud, Anal. Methods, 2015, 7, 10145
    DOI: 10.1039/C5AY00748H

Search articles by author

Spotlight

Advertisements