Characterization, photocleavage, molecular modeling, and DNA- and BSA-binding studies of Cu(II) and Ni(II) complexes with the non-steroidal anti-inflammatory drug meloxicam

Abstract Two complexes of Cu(II) and Ni(II) with the non-steroidal anti-inflammatory drug meloxicam (H 2 mel, 4-hydroxy-2-methyl-N-(5-methyl-2-thiazolyl)-2H-1,2-benzothiazine-3-carboxammide-1,1-dioxide), trans -[Cu(Hmel) 2 (THF) 2 ] ( 1 ) and trans -[Ni(Hmel) 2 (DMF) 2 ] ( 2 ), were synthesized and characterized. The interaction of the complexes with DNA and bovine serum albumin (BSA) was investigated. Molecular docking and molecular dynamic simulation methods were also used for modeling the binding of the complexes to DNA and BSA and good agreements were found between the experimental and theoretical results. All the results suggest that the interaction mode between the complexes and DNA was major groove binding. The quenching mechanism of the BSA fluorescence by the complexes is a static quenching. Gel electrophoresis assay demonstrates the ability of the complexes to cleave the supercoiled plasmid DNA (pUC57 plasmid DNA).