Insertion of Thiazolidinediones into Carbon Nanotube

Authors: Behnoush Zare, Mojdeh Akhavan, Ahmad Reza Dehpour

Abstract:

In this study we investigate the insertion of pioglitazone, a Thiazolidinedione, into the two different sizes of Carbon nanotub. It was shown that the insertion of pioglitazone into the carbon nanotube in a water solute environment could be related to the diameter of the nanotube and in the flow of the waters via hydrophilic interactions. This encapsulated drug-carbon nanotube molecule can be further applicable in other investigations in target therapy with these agents regarding to reduce their potential toxic effects.

Keywords: Carbon Nanotube, MD Simulation, Thiazolidinedions

Digital Object Identifier (DOI): doi.org/10.5281/zenodo.1328208

References:

[1] B. Desvergne, W.W., Peroxisome proliferatoractivated receptors: nuclear control of metabolism. Endocrine Reviews, 1999. 20(5): p. 649- 688.
[2] Drew, P.D., J. Xu, and M.K. Racke, PPAR-γ: Therapeutic Potential for Multiple Sclerosis. PPAR Research, 2008. 2008.
[3] Heneka, M.T. and G.E. Landreth, PPARs in the brain. Biochimica et Biophysica Acta (BBA) - Molecular and Cell Biology of Lipids, 2007. 1771(8): p. 1031-1045.
[4] Kummer, M.P. and M.T. Heneka, PPARs in Alzheimer's Disease. PPAR Research, 2008. 2008.
[5] Sundararajan, S., et al., PPAR╬│ as a therapeutic target in central nervous system diseases. Neurochemistry International, 2006. 49(2): p. 136-144.
[6] OVALLE, F. and F.J. OVALLE-BERUMEN, Thiazolidinediones: A Review of Their Benefits and Risks. Southern Medical Journal, 2002. 95(10): p. 1188&hyhen;1194.
[7] Christodoulides, C. and A. Vidal-Puig, PPARs and adipocyte function. Molecular and Cellular Endocrinology, 2010. 318(1-2): p. 61-68.
[8] Staels, B., PPAR╬│ and atherosclerosis. Current Medical Research and Opinion, 2005. 21(s1): p. S13-S20.
[9] Bonkovsky, H.L., et al., Severe cholestatic hepatitis caused by thiazolidinediones : Risks associated with substituting rosiglitazone for troglitazone. Digestive Diseases and Sciences, 2002. 47(7): p. 1632-7.
[10] Maruyama, S. Shigeo MARUYAMA's Molecular Dynamics and Nano- Heat Site, Nanotube coordinate generator with a viewer for Windows. 2012; Available from: http://www.photon.t.u-tokyo.ac.jp/.
[11] Van Der Spoel, D., et al., GROMACS: Fast, flexible, and free. Journal of Computational Chemistry, 2005. 26(16): p. 1701-1718.
[12] Gao, H., et al., Spontaneous Insertion of DNA Oligonucleotides into Carbon Nanotubes. Nano Letters, 2003. 3(4): p. 471-473.
[13] Hilder, T.A., D. Gordon, and S.-H. Chung, Computational modeling of transport in synthetic nanotubes. Nanomedicine: Nanotechnology, Biology and Medicine, 2011. 7(6): p. 702-709.
[14] Grady, B.P., Carbon Nanotube-Polymer Composites: Manufacture, Properties, and Applications. 2011: Jhon Wiley and Sons.