DNA-interaction studies of a copper(II) complex containing ceftobiprole drug using molecular modeling and multispectroscopic methods

Abstract

The interaction of the Cu(cef)(phen)Cl₂] complex with calf-thymus DNA (ct-DNA) at physiological pH was investigated by UV-visible spectrophotometry, fluorescence measurement, dynamic viscosity measurements, circular dichroism spectroscopy, and molecular modeling. UV-vis spectra showed 5?nm bathochromic shift of the absorption band at 270?nm along with significant hypochromicity for the absorption band of the complex. The binding constant obtained of UV-vis (1?×?10⁵ M^?1) is more in keeping with intercalators and suggests this binding mode. Moreover, thermodynamic parameters indicated that hydrogen bond and van der Waals interactions play main roles in the binding of Cu(cef)(phen)Cl₂] to ct-DNA. In addition, Cu(cef)(phen)Cl₂]-DNA docked model is in approximate correlation with the experimental results.