Doxorubicin Encapsulation in Carbon Nanotubes Having Haeckelite or Stone–Wales Defects as Drug Carriers: A Molecular Dynamics Approach

Doxorubicin Encapsulation in Carbon Nanotubes Having Haeckelite or Stone–Wales Defects as Drug Carriers: A Molecular Dynamics Approach

Doxorubicin (DOX), a recognized anticancer drug, forms stable associations with carbon nanotubes (CNTs). CNTs when properly functionalized have the ability to anchor directly in cancerous tumors where the release of the drug occurs thanks to the tumor slightly acidic pH. Herein, we study the armchai...

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Bibliographic Details
Main Authors: Leonor Contreras, Ignacio Villarroel, Camila Torres, Roberto Rozas
Format: Article
Language:English
Published: MDPI AG 2021-03-01
Series:Molecules
Subjects:
carbon nanotubes
Stone–Wales defects
haeckelite defects
doxorubicin encapsulation
drug delivery system
binding free energies
Online Access:https://www.mdpi.com/1420-3049/26/6/1586

Internet

https://www.mdpi.com/1420-3049/26/6/1586

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