Back to Journals » International Journal of Nanomedicine » Volume 6

Investigation of solvent effect and NMR shielding tensors of p53 tumor-suppressor gene in drug design

Authors Irani S, Monajjemi M, Honarparvar B, Atyabi S, Mollaamin F

Published 25 January 2011 Volume 2011:6 Pages 213—218


Review by Single-blind

Peer reviewer comments 2

S Irani1, M Monajjemi2, B Honarparvar2, SM Atyabi3, M Sadeghizadeh4
1Department of Biology, 2Department of Chemistry, 3Department of Medical Engineering, Science and Research Branch, Islamic Azad University, Tehran, Iran; 4Department of Genetics, School of Biological Sciences, Tarbiat Modares University, Tehran, Iran

Abstract: The p53 tumor-suppressor gene encodes a nuclear phosphoprotein with cancer-inhibiting properties. The most probable cancerous mutations occur as point mutations in exons 5 up to 8 of p53, as a base pair substitution that encompasses CUA and GAT sequences. As DNA drug design represents a direct genetic treatment of cancer, in the research reported computational drug design was carried out to explore, at the Hartree–Fock level, effects of solvents on the thermochemical properties and nuclear magnetic resonance (NMR) shielding tensors of some atoms of CUA involved in the hydrogen-bonding network. The observed NMR shielding variations of the solutes caused by solvent change seemed significant and were attributed to solvent polarity, and solute–solvent and solvent–solute hydrogen-bonding interactions. The results provide a reliable insight into the nature of mutation processes. However, to improve our knowledge of the hydration pattern more rigorous computations of the hydrated complexes are needed.

Keywords: p53, CUA, mutation, ab initio method, NMR shielding

Creative Commons License This work is published and licensed by Dove Medical Press Limited. The full terms of this license are available at and incorporate the Creative Commons Attribution - Non Commercial (unported, v3.0) License. By accessing the work you hereby accept the Terms. Non-commercial uses of the work are permitted without any further permission from Dove Medical Press Limited, provided the work is properly attributed. For permission for commercial use of this work, please see paragraphs 4.2 and 5 of our Terms.

Download Article [PDF]  View Full Text [HTML][Machine readable]


Other article by this author:

Combination of cold atmospheric plasma and iron nanoparticles in breast cancer: gene expression and apoptosis study

Jalili A, Irani S, Mirfakhraie R

OncoTargets and Therapy 2016, 9:5911-5917

Published Date: 28 September 2016

Readers of this article also read:

Companion diagnostics and molecular imaging-enhanced approaches for oncology clinical trials

Van Heertum RL, Scarimbolo R, Ford R, Berdougo E, O’Neal M

Drug Design, Development and Therapy 2015, 9:5215-5223

Published Date: 11 September 2015

Ageism and its clinical impact in oncogeriatry: state of knowledge and therapeutic leads

Schroyen S, Adam S, Jerusalem G, Missotten P

Clinical Interventions in Aging 2015, 10:117-125

Published Date: 31 December 2014

Nanoparticles and their potential for application in bone

Tautzenberger A, Kovtun A, Ignatius A

International Journal of Nanomedicine 2012, 7:4545-4557

Published Date: 17 August 2012

Studying the effect of particle size and coating type on the blood kinetics of superparamagnetic iron oxide nanoparticles

Roohi F, Lohrke J, Ide A, Schuetz G, Dassler K

International Journal of Nanomedicine 2012, 7:4447-4458

Published Date: 10 August 2012