Boron nitride nanotube as a delivery system for platinum drugs: Drug encapsulation and diffusion coefficient prediction

Khatti, Zahra; Hashemianzadeh, Seyed Majid

doi:10.1016/j.ejps.2016.04.011

Cited by 55 publications

(26 citation statements)

References 57 publications

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“… 21 On the other hand,‏ our previous study allowed the assessment of a drug delivery system caused by another nanotube apart from CNTs, as carrier on theoretical level for the first time. 22 Therefore, in the present study, molecular dynamics (MD) simulation was employed to investigate another so-named nanotube SiCNT as delivery system compared to CNT. Carboplatin (diammineplatinum(II) cyclobutane-1,1-dicarboxylate) was selected as a drug model because it encompasses fewer adverse effects and has greater water solubility than other platinum agents.…”

Section: Introductionmentioning

confidence: 99%

A Molecular Study on Drug Delivery System Based on Carbon Nanotube Compared to Silicon Carbide Nanotube for Encapsulation of Platinum-Based Anticancer Drug

2018

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Purpose: Drug delivery has a critical role in the treatment of cancer, in particular, carbon nanotubes for their potential use in various biomedical devices and therapies. From many other materials which could be more biocompatible and biodegradable and which could form single-walled nanotubes, silicon carbide was selected.Methods: To compare two drug delivery systems based on single-walled nanotubes, molecular dynamic simulations were applied and encapsulation behavior of the drug carboplatin was investigated inside the silicon carbide nanotube and the carbon nanotube.Results: Localization of the carboplatin inside the nanotubes indicated that the carboplatin moves throughout the tubes and possesses a greater probability of finding the drug molecule along the nanotubes in the first quarter of the tubes. The energy analysis exhibited the lowest free energy of binding belongs to the encapsulation of the drug carboplatin in the silicon carbide nanotube, about -145 Kcal/mol.Conclusion: The results confirmed that the silicon carbide nanotube is a more suitable model than the carbon nanotube for drug delivery system based on nanotubes as a carrier of platinum-based anticancer drugs.

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Section: Introductionmentioning

confidence: 99%

A Molecular Study on Drug Delivery System Based on Carbon Nanotube Compared to Silicon Carbide Nanotube for Encapsulation of Platinum-Based Anticancer Drug

2018

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“…These studies greatly enhanced our understanding on the properties of BNNTs. They show that BNNTs could be used in many potential applications especially nano-biomedical application222324252627.…”

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confidence: 99%

Theoretic Study on Dispersion Mechanism of Boron Nitride Nanotubes by Polynucleotides

Liang

Zhang

et al. 2016

Sci Rep

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Due to the unique electrical and mechanical properties of boron nitride nanotubes (BNNT), BNNT has been a promising material for many potential applications, especially in biomedical field. Understanding the dispersion of BNNT in aqueous solution by biomolecules is essential for its use in biomedical applications. In this study, BNNT wrapped by polynucleotides in aqueous solution was investigated by molecular dynamics (MD) simulations. Our results demonstrated that the BNNT wrapped by polynucleotides could greatly hinder the aggregation of BNNTs and improve the dispersion of BNNTs in aqueous solution. Dispersion of BNNTs with the assistance of polynucleotides is greatly affected by the wrapping manner of polynucleotides on BNNT, which mainly depends on two factors: the type of polynucleotides and the radius of BNNT. The interaction between polynucleotides and BNNT(9, 9) is larger than that between polynucleotides and BNNT(5, 5), which leads to the fact that dispersion of BNNT(9, 9) is better than that of BNNT(5, 5) with the assistance of polynucleotides in aqueous solution. Our study revealed the molecular-level dispersion mechanism of BNNT with the assistance of polynucleotides in aqueous solution. It shades a light on the understanding of dispersion of single wall nanotubes by biomolecules.

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“…The encapsulation of molecules inside nanotubes could be utilized to distinguish metallic CNTs from semiconducting CNTs and to increase CNT solubility in organic media [15]. Furthermore, one of the most important biomedical applications of nanotubes is their use as a delivery system for platinum drugs [16][17][18]. In addition, the combination of metal atoms and nanotubes is ideal for fabricating novel one-dimensional nanostructures with various arrangements, and filling nanotubes with magnetic elements like Ni can make them potentially applicable for the storage of magnetic data [19,20].…”

Section: Introductionmentioning

confidence: 99%

Modelling of Nickel Atoms Interacting with Single-Walled Nanotubes

Alshehri

2019

Advances in Mathematical Physics

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Herein, the encapsulation mechanism of nickel atoms into carbon and boron nitride nanotubes is investigated to determine the interaction energies between the nickel atom and a nanotube. Classical modelling procedures, together with the 6-12 Lennard-Jones potential function and the hybrid discrete-continuous approach, are used to calculate the interaction of a nickel atoms with (i,i) armchair and (i,0) zigzag single-walled nanotubes. Analytical expressions for the interaction energies are obtained to determine the optimal radii of the tubes to enclose the nickel atom by determining the radii that give the minimum interaction energies. We first investigate the suction energy of the nickel atom entering the nanotube. The atom is assumed to be placed on the axis and near an open end of a semi-infinite, single-walled nanotube. Moreover, the equilibrium offset positions of the nickel atoms are found with reference to the cross-section of the nanotubes. The results may further the understanding of the encapsulation of Ni atoms inside defective nanotubes. Furthermore, the results may also aid in the design of nanotube-based materials and increase the understanding of their nanomagnetic applications and potential uses in other areas of nanotechnology.

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Boron nitride nanotube as a delivery system for platinum drugs: Drug encapsulation and diffusion coefficient prediction

Cited by 55 publications

References 57 publications

A Molecular Study on Drug Delivery System Based on Carbon Nanotube Compared to Silicon Carbide Nanotube for Encapsulation of Platinum-Based Anticancer Drug

A Molecular Study on Drug Delivery System Based on Carbon Nanotube Compared to Silicon Carbide Nanotube for Encapsulation of Platinum-Based Anticancer Drug

Theoretic Study on Dispersion Mechanism of Boron Nitride Nanotubes by Polynucleotides

Modelling of Nickel Atoms Interacting with Single-Walled Nanotubes

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