Binding Assessment of Yttrium(III) Complex ligand with DNA: Multispectrophotometry and Molecular docking

The binding interaction of yttrium(III) complex containing 4,6- dimethyl-1,10-phenanthroline with DNA in physiological buffer is explored by different instrumental methods including UV–Vis spectrophotometry, fluorescence spectroscopy, circular dichroism and viscosity measurement. The Stern-Volmer quenching constants (Ksv), binding constants (Kb) and number of binding sites of the complex with DNA are obtained at four different temperatures, and the thermodynamic parameters are calculated according to van’t Hoff equation as well. The results of absorption, ionic strength, iodide ion quenching, EtBr quenching, and positive ΔH˚ and ΔS˚ suggest that hydrophobic groove binding play a predominant role in the binding of mentioned complex to DNA. Also, molecular docking study indicated that this complex bind to the minor groove of DNA. From both experimental and docking results, the value of binding constant existing the remarkably high affinity of yttrium(III) complex to DNA. The molecular docking results kept in good agreement with experimental results.

کلیدواژه ها:

Yttrium(III) complex ، DNA ، Binding interaction ، Molecular docking