Delivery of Cisplatin Anti-Cancer Drug from Carbon, Boron Nitride, and Silicon Carbide Nanotubes Forced by Ag-Nanowire: A Comprehensive Molecular Dynamics Study

Abstract

In this work, liberation of cisplatin molecules from interior of a nanotube due to entrance of an Ag-nanowire inside it was simulated by classical molecular dynamics method. The aim of this simulation was investigation on the effects of diameter, chirality, and composition of the nanotube, as well as the influence of temperature on this process. For this purpose, single walled carbon, boron nitride, and silicon carbide nanotube were considered. In order for a more concise comparison of the results, a new parameter namely efficiency of drug release, was introduced. The results demonstrated that the efficiency of drug release is sensitive to its adsorption on outer surface of the nanotube. Moreover, this efficiency is also sensitive to the nanotube composition and its diameter. For the effect of nanotube composition, the results indicated that silicon carbide nanotube has the least efficiency for drug release, due to its strong drug-nanotube. Also, the most important acting forces on drug delivery are van der Waals interactions. Finally, the kinetic of drug release is fast and is not related to the structural parameters of the nanotube and temperature, significantly.

Purification of Boron Nitride Nanotubes Enhances Biological Application Properties

“…Because of its needle-like shape and high aspect ratio, BNNTs can either be endocytosis or direct penetrate through cell membranes. In addition, previous studies have suggested that BNNTs can trap hydrophobic molecules in their inner space via hydrophobic−hydrophobic interactions [14]. Our data suggest that purification of BNNTs also increased the estimated amount of encapsulated CPT, as 1 mg of pBNNTs encapsulates 39.6 µg of CPT, while the same amount of BNNTs encapsulated 3.82 µg ( Figure 6B and C).…”

“…CNTs and BNNTs were extensively explored for biological purposes, including their potential application to hydrophobic drug carrier carriers [14][15][16]. Due to their available hydrophobic inner space, ability to disperse in aqueous solution in the presence or absence or dispersants, and large aspect ratio, both CNTs and BNNTs can either be endocytosed or directly penetrate cell membranes, allowing targeted delivery of hydrophobic drugs.…”

The Advances in Biomedical Applications of Carbon Nanotubes

“…The CNTs demonstrated a good cell penetrability, stability, pH-controlled release property, and high inhibition rate on liver cancer cells [11]. In another study, Mehrjouei et al used a computer model to investigate the release of anti-cancer drug cisplatin from CNTs [76]. The data showed that the efficiency of cisplatin release depends on the drug's adsorption on the outer surface of the nanotube and CNTs composition and their diameter.…”

Functionalized Boron Nitride Applications in Biotechnology

“…The selected conformation positions within a tridimensional space, regarding to its rotation, torsion, or twist which needs to be lower than its initial conformation in study [65]. About the computational methods used in nanotechnology, we can highlight several studies in different nanostructures, such as h-BN and BNNTs, explored in several technology areas such as DNA sequencing [66][67][68][69][70], water treatment [71][72][73][74], piezoelectric properties [75,76], and drug delivery [77][78][79], among others. For instance, the cisplatin (CP) is a well-known agent chemotherapeutic that acts directly on DNA causing defects in the cell repair mechanism and leading to apoptosis.…”