Molecular docking and uv-visibal spectroscopy characterisation of the complex formed between ferrocene derrivative and DNA.

Abstract

In this study the ferrocene derrivative was characterized for interaction with DNA using theoretical and experimental methods. UV-visible spectroscopy was used for the experimental account of Fc-DNA complex. The experimental result showed that the Fc interacts by electrostatic mode. The binding constant ( ) and Gibbs free energy (Δ ) for the Fc-DNA complex have been estimated as 5,25 x 104 mol-1 and -26,9 KJ.mol-1 respectively. The theoretical DNA binding of Fc was investigated by performing docking studies using AutoDock molecular docking software. The docking studies yield good approximation with experimental data and explain the sites of binding.