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Natural payload delivery of the doxorubicin anticancer drug from boron nitride oxide nanosheets

Abstract : We studied the behavior of doxorubicin (DOX; an anticancer drug) molecules loaded on a boron nitride oxide nanosheet (BNO-NS) using the density functional theory (DFT), time-dependent density functional theory (TDDFT), and molecular dynamic (MD) simulation methods. We found that DOX molecules in pi-pi or covalent interaction with BNO-NS preserve their optical properties in water. Moreover, the BNO-NS vector allowed stabilizing the DOX molecules on a cellular membrane contrary to isolated DOX that randomly moved in the solvent box without any interaction with the cell membrane. From these results, we conclude that hydrophilic BNO-NS represents a good candidate for DOX molecule transport and stabilization near a cell membrane. In this drug delivery system, the choice of BNO-NS as nanovector is important because it allows delivering an elevated therapeutic dose directly on the cancer cell target without hindrance of the DOX payload.
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https://hal.umontpellier.fr/hal-02055616
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Submitted on : Monday, May 31, 2021 - 2:35:06 PM
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Applied Surface Science, 2019,...
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E. Duverger, S. Balme, Mikhael. Bechelany, Philippe. Miele, F. Picaud. Natural payload delivery of the doxorubicin anticancer drug from boron nitride oxide nanosheets. Applied Surface Science, Elsevier, 2019, 475, pp.666-675. ⟨10.1016/j.apsusc.2018.12.273⟩. ⟨hal-02055616⟩

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