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Issue 36, 2012
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Cisplatin cytotoxicity: a theoretical study of induced mutations

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Abstract

We investigate possible mutations in the genetic code induced by cisplatin with an approach combining molecular dynamics (MD) and hybrid quantum mechanics/molecular mechanics (QM/MM) calculations. Specifically, the impact of platination on the natural tautomeric equilibrium in guaninecytosine (GC) base pairs is assessed to disclose the possible role played by non-canonical forms in anti-tumour activity. To obtain valuable predictions, the main interactions present in a real DNA environment, namely hydration and stacking, are simultaneously taken into account. According to our results, the Pt–DNA adduct promotes a single proton transfer reaction in GC in the DNA sequence A[G with combining low line][G with combining low line]C. Such rare tautomers might play an important role in the cisplatin biological activity since they meet the stability requirements necessary to promote a permanent mutation.

Graphical abstract: Cisplatin cytotoxicity: a theoretical study of induced mutations

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Supplementary files

Article information


Submitted
20 Feb 2012
Accepted
22 Mar 2012
First published
23 Mar 2012

Phys. Chem. Chem. Phys., 2012,14, 12457-12464
Article type
Paper

Cisplatin cytotoxicity: a theoretical study of induced mutations

J. P. Cerón-Carrasco, D. Jacquemin and E. Cauët, Phys. Chem. Chem. Phys., 2012, 14, 12457
DOI: 10.1039/C2CP40515F

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