alexa Comprehensive Comparative Analysis of the Morphological Changes in a 12-mer DNA Oligonucleotide upon Platination by Cisplatin, Oxaliplatin and BNP3029 (a Substituted Cyano ligand-based Platinum analogue) using Molecular Dynamics Simulation Studies | Abstract
ISSN: 2161-0398

Journal of Physical Chemistry & Biophysics
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Research Article

Comprehensive Comparative Analysis of the Morphological Changes in a 12-mer DNA Oligonucleotide upon Platination by Cisplatin, Oxaliplatin and BNP3029 (a Substituted Cyano ligand-based Platinum analogue) using Molecular Dynamics Simulation Studies

Pavankumar PNV, Ayala PY, Parker AR, Zhao M, Jair K, Chen X, Kochat H and Hausheer FH*
Bio Numerik Pharmaceuticals, Inc., 8122 Data Point Dr., Suite 1250, San Antonio, TX 78229, USA
Corresponding Author : Frederick Hausheer
BioNumerik Pharmaceuticals, Inc.
8122 Data Point Dr., Suite 1250
San Antonio, TX 78229, USA
Tel: 210-614-1701
Fax: 210-614-0643
E-mail: [email protected]
Received October 25, 2014; Accepted January 25, 2015; Published January 30, 2015
Citation: Pavankumar PNV, Ayala PY, Parker AR, Zhao M, Jair K, et al. (2015) Comprehensive Comparative Analysis of the Morphological Changes in a 12-mer DNA Oligonucleotide upon Platination by Cisplatin, Oxaliplatin and BNP3029 (a Substituted Cyano ligand-based Platinum analogue) using Molecular Dynamics Simulation Studies#. J Phys Chem Biophys 5:172. doi:10.4172/2161-0398.1000172
Copyright: © 2015 Pavankumar PNV, et al. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.

Abstract

Cisplatin is an important anti-cancer agent widely used in the clinic; however, it has several notable limitations. To develop novel platinum analogues, key characteristics were considered that may result in more effective platinum analogues. In this study, we present comprehensive molecular dynamics simulation studies using a 12-mer DNA (5’-CCTCTggTCTCC-3’, gg= the site of platination) oligonucleotide which was platinated with cisplatin (1), oxaliplatin_1R_2R (2), and BNP3029 (3, a novel substituted cyano platinum analogue, PtCl2[N≡C(CH2)3(C6H5)]2), and analyzed the large data output using the Kolmogorov-Smirnov statistical analyses. In summary, data indicated that BNP3029-DNA had less A-like DNA morphology in comparison to cisplatin-DNA and oxaliplatin-DNA thus maintaining a more B-like DNA form. BNP3029 demonstrated more potent cytotoxic activity, relative to cisplatin and oxaliplatin, in a variety of human cancer cell lines, including several platinum-resistant cell lines.

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