Cisplatin is one of the most widely prescribed chemotherapy drugs to treat different types of cancers. However, this anticancer drug has a number of side effects such as kidney and nerve damages, anaphylactic reactions, hearing loss, nausea, and vomiting that strongly restrict its function. In the present study, single-walled carbon nanotubes (SWCNTs) are used as protective drug carriers which can decrease these severe side effects to some extent. Using the hybrid discrete-continuum model in conjunction with Lennard-Jones potential, new semi-analytical expressions in terms of single integrals are given to evaluate van der Waals (vdW) potential energy and interaction force between an offset cisplatin and a SWCNT. In addition, molecular dynamics (MD) simulations are conducted to validate the results of such a hybrid approach. The preferred location and orientation of cisplatin while entering SWCNTs are determined. It is shown that the equilibrium condition of the drug may be affected by the radius of nanotube, the orientation of cisplatin, and the distance between the central molecule of the drug (Pt) and the left end of nanotube. Furthermore, the influence of equilibrium condition on the distributions of vdW interactions is investigated.
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February 2012
Special Section: Simulation And Experimental Studies And Applications Of Carbon Nanotubes And Graphenes In Engineering And Medicine
Preferred Position and Orientation of Anticancer Drug Cisplatin During Encapsulation Into Single-Walled Carbon Nanotubes
R. Ansari,
R. Ansari
Department of Mechanical Engineering,
r_ansari@guilan.ac.ir
University of Guilan
,P.O. Box 3756, Rasht, Iran
Search for other works by this author on:
E. Kazemi,
E. Kazemi
Department of Mechanical Engineering,
University of Guilan
,P.O. Box 3756, Rasht, Iran
Search for other works by this author on:
E. Mahmoudinezhad,
E. Mahmoudinezhad
Department of Mechanical Engineering,
University of Guilan
,P.O. Box 3756, Rasht, Iran
Search for other works by this author on:
F. Sadeghi
F. Sadeghi
Department of Mechanical Engineering,
University of Guilan
,P.O. Box 3756, Rasht, Iran
Search for other works by this author on:
R. Ansari
Department of Mechanical Engineering,
University of Guilan
,P.O. Box 3756, Rasht, Iran
r_ansari@guilan.ac.ir
E. Kazemi
Department of Mechanical Engineering,
University of Guilan
,P.O. Box 3756, Rasht, Iran
E. Mahmoudinezhad
Department of Mechanical Engineering,
University of Guilan
,P.O. Box 3756, Rasht, Iran
F. Sadeghi
Department of Mechanical Engineering,
University of Guilan
,P.O. Box 3756, Rasht, Iran
J. Nanotechnol. Eng. Med. Feb 2012, 3(1): 010903 (7 pages)
Published Online: August 13, 2012
Article history
Received:
April 5, 2012
Revised:
May 20, 2012
Published:
August 13, 2012
Citation
Ansari, R., Kazemi, E., Mahmoudinezhad, E., and Sadeghi, F. (August 13, 2012). "Preferred Position and Orientation of Anticancer Drug Cisplatin During Encapsulation Into Single-Walled Carbon Nanotubes." ASME. J. Nanotechnol. Eng. Med. February 2012; 3(1): 010903. https://doi.org/10.1115/1.4006916
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