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Journal of Chemistry
Volume 2016 (2016), Article ID 7468951, 8 pages
Research Article

Spectroscopic, Electrochemical, and In Silico Characterization of Complex Formed between 2-Ferrocenylbenzoic Acid and DNA

1Department of Chemistry, University of Gujrat, Hafiz Hayat Campus, Jalalpur Jattan Road, Gujrat 50700, Pakistan
2Department of Energy System Engineering, Sukkur Institute of Business Administration, Sukkur 65200, Pakistan
3Department of Chemistry, Quaid-i-Azam University, Islamabad 45320, Pakistan
4Graphene Research Institute, Sejong University, Seoul, Republic of Korea

Received 21 December 2015; Accepted 1 March 2016

Academic Editor: Nigam P. Rath

Copyright © 2016 Ataf Ali Altaf et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.


We present the synthesis of 2-ferrocenylbenzoic acid (FcOH) and its electrochemical and spectroscopic characterization. FcOH was characterized for interaction with DNA using theoretical and experimental methods. UV-visible spectroscopy and cyclic voltammeter (CV) were used for the experimental account of FcOH-DNA complex. The experimental results showed that the FcOH interacts by electrostatic mode. The binding constant () and Gibbs free energy () for the FcOH-DNA complex have been estimated as 5.3 × 104 M−1 and −6.44 kcal/mol, respectively. The theoretical DNA binding of FcOH was studied with AutoDock molecular docking software. The docking studies yield good approximation with experimental data and explain the sites of binding.