Delivery of Cisplatin Anti-Cancer Drug from Carbon,
Boron Nitride, and Silicon Carbide Nanotubes Forced by Ag-Nanowire:
A Comprehensive Molecular Dynamics Study
posted on 2017-06-08, 00:00authored byEsmat Mehrjouei, Hamed Akbarzadeh, Amir Nasser Shamkhali, Mohsen Abbaspour, Sirous Salemi, Pooya Abdi
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.