Simulation of a Dipeptide boc-Ile-Ile-nhme as a drug carrier

Authors

  • Jaynthy C Department of Bioinformatics, Sathyabama University, Chennai-119
  • Lavnaya G Department of Bioinformatics, Sathyabama University, Chennai-119
  • N. Premjanu Department of Bioinformatics, Sathyabama University, Chennai-119
  • Vignesh Rajamanickam Department of Life Sciences, Hamburg University of Applied Sciences, Lohbrügger Kirchstraße 65 21033, Germany.
  • Dhivya S Department of Bioinformatics, Sathyabama University, Chennai-119

Keywords:

Reverse micelles, tetra peptide, minimization, drug delivery, nanotechnology

Abstract

Reverse micelles are discrete nanoscale particles composed of a water core surrounded by surfactant. In this current study the the self assembling properties of the dipeptide Boc-Ile-Ile-NHMe in chloroform to form a stable micelle at various temperatures ranging from 200 to 350 Kelvin has been analysed using insilico methods. The computational analysis was carried out using the steepest descent algorithm, a minimization tool used to study the protein energy level in insilco and it was compared with the thermodynamic parameters determined experimentally. Such reverse micelles finds a vast area of application one of which is drug delivery in nanotechnology. The present dipeptide is shown to carry drugs by insilico methods.

References

Wade D. Van Horn, Mark E. Ogilvie and Peter F. Flynn*, J. Am. Chem. Soc., 2009; 131 (23): 8030–8039.

Stephane Abel, Fabio Sterpone, Sanjoy Bandyopadhyay, and Massimo Marchi, J. Am. Chem. Soc., 2004;108: 19458-19466

R. Jayakumar, C. Jayanthy and L. Gomathy, .Peptide Aggregates: A novel model system to study self assembl;y of peptides .International Journal of Chemical Biology and Drug Design.1995;45(2): 129-137.

M. R. Ghadiri, J. R. Granja, R. A. Milligan, D. E. McRee and Khazanovich, Nature, 1993; 366, p 324

H. Ihara, H. Hachisako, C. Hirayama and K. Yamada, J. Chem. Soc., Chem. Commun., 1992, 1244.

J. Kisby, Adv. Phys. Org. Chem., 1980;17, 197.

N.J. Turro and A. Yekta, J. Am. Chem. Soc. 1978; 100, 5951

Sgourakis NG, Yan Y, McCallum SA, Wang C, Garcia AE . Journal of Molecular Biology .2007;368 (5): 1448–1457

Klapper, M. N. On the nature of protein interior. Biochim. Biophys.Acta. 1971; 229:557–566.

Richards, F. M. Areas, volumes, packing and protein structure. Annu.Rev. Biophys. Bioengin. 1977.;6:151–176.

Richards, F. M., and W. A. Lim. An analysis of packing in the protein folding problem. Q. Rev. Biophys. 1994; 26(4):423–498.

Gekko, K., and H. Noguchi. Compressibility of proteins at 25°C.J. Phys. Chem. 1979; 83:2706 –2714.

Rashin, A. A., M. Iofin, and B. Honig. Internal cavities and buried waters in globular proteins. Biochemistry. 1986; 23:3619 –3625.

Takano, K., J. Funahashi, Y. Yamagata, S. Fujii, and K. Yutani. Contribution of water molecules in the interior of a protein to the conformational stability. J. Mol. Biol. 1997; 274:132–142.

Paci, E., and B. Velikson. On the volume of macromolecules. Biopolymers. 1997; 41:785–797.

Gavish. B., E. Gratton, and C. J. Hardy. Adiabatic compressibility of globular proteins. Proc. Natl. Acad. Sci. U.S.A. 1983; 80:750 –754.

Ben Cooke and Scott C.Schmidler. Biophysical Journal,2008;95:4497-4511

Chellam Jaynthy and Asit Baran Mandal, Reverse Micelle Formation of the Dipeptide “Boc-Ile-Ile-NHMe”. International Journal of Applied Bioengineering, 2010; 4(2): 7-14.

Downloads

Published

2013-03-31

How to Cite

Jaynthy C, Lavnaya G, N. Premjanu, Vignesh Rajamanickam, & Dhivya S. (2013). Simulation of a Dipeptide boc-Ile-Ile-nhme as a drug carrier. International Journal of Drug Delivery, 5(1), 81–87. Retrieved from https://ijdd.arjournals.org/index.php/ijdd/article/view/184

Issue

Section

Original Research Articles