Experimental and molecular modeling studies on the interaction of the Ru(II)-piroxicam with DNA and BSA

Abstract

A mononuclear Ru(II) complex containing two piroxicam (Pir-) ligands was synthesized and fully characterized. Interaction studies of the Pir- anion and the Ru(II) complex with DNA and BSA were carried out using spectroscopic techniques. The results suggested that the Pir- anion binds to DNA in a moderately strong fashion via intercalation between the base stacks of double-stranded DNA, while the Ru(II) complex is a groove binder and interacts with DNA with more affinity. Moreover, the results demonstrated that the microenvironment and the secondary structure of BSA were changed in the presence of Pir†and Ru(II) complex. The free Pir †ligand and the Ru(II) complex can lead to the photocleavage of DNA supercoiled pUC57. Finally, the binding of the Ru(II) complex to BSA and DNA was modeled by molecular docking and molecular dynamic simulation methods. © 2013 Elsevier Masson SAS. All rights reserved.