DNA interaction studies on the drug sotlol and its Cu(II) complex usingviscosity measurements, UV-Vis spectroscopy and molecular dockingsimulation methods

Recent years have seen a rejuvenation of interest in studies on the interaction mechanism ofdeoxyribonucleic acid (DNA) with small molecules, especially in interaction with drugs [۱, ۲].Inthis project, the interaction of the drug sotalol (SOT)and its Cu(II) complex (CuSOT) with calfthymus DNA(ct-DNA) was investigated using viscosity measurements, UV-Vis spectroscopyand molecular docking simulation methods. Viscosity measurement studies indicated that theSOT interacts with ct-DNA via a groove mode of binding. The molecular docking simulationvisualized that both the SOTand CuSOT arelocated in the minor groove ofthe DNA helix.Thebinding constant measured from the UV–Vis absorption studies showed that the binding strengthof SOT to ct-DNA,compared to the drug cytarabine as a known anticancer agent,is significant[۳]. Also, the calculated binding constants (Kb) by AutoDock Vina showed that the affinity ofCuSOT for DNA is higher than that of the drug SOT.