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Article Dans Une Revue HSOA Journal of Nanotechnology: Nanomedicine & Nanobiotechnology Année : 2017

Ab Initio Study of Azomethine Derivative Cancer Drug on Boron Nitride and Graphene Nanoflakes

Résumé

One of the main steps to realize targeted treatment is to build up effective target drug delivery nanosystems. Herein we present theoretical results, based on density functional theory, which demon - strate the potentiality of functionalization of perfect 2D nanomaterials (i.e., graphene and boron nitride nanoflakes) with anticancer mole - cule. Our first observations have confirmed that a perfect nanoflake blocked any chemical reaction onto them and could only transport physically active drug. Moreover, on defective surface, the resulting chemical attachment of an azomethine plus subsequent drug (like an anticancer Pt(IV) complex as cisplatin molecule) onto these ma - terials via a cycloaddition process show the formation of a five mem - bered ring. Moreover, the electronic activity and the structure of the drug are conserved in the most stable configuration, which means that the drug could delivered through this platform according to a supplementary target ligand.
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Dates et versions

hal-02131470 , version 1 (16-05-2019)

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  • HAL Id : hal-02131470 , version 1

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Eric Duverger, Jérémy Bentin, E. Delabrousse, Tijani Gharbi, Fabien Picaud. Ab Initio Study of Azomethine Derivative Cancer Drug on Boron Nitride and Graphene Nanoflakes. HSOA Journal of Nanotechnology: Nanomedicine & Nanobiotechnology, 2017, 4 (2), pp.100014. ⟨hal-02131470⟩
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