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

• Synthesis, structure and characterization of two new meloxicam Cu(II) and Ni(II) complexes.
• The DNA photocleavage by the complexes.
• Investigation of DNA-complex and BSA-complex interactions by several experimental methods.
• The molecular docking study of the complexes with DNA and BSA.
• The experimental data are in good agreement with the molecular modeling.

Two complexes of Cu(II) and Ni(II) with the non-steroidal anti-inflammatory drug meloxicam (H2mel, 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).

Two mononuclear complexes of Cu(II) and Ni(II) with the non-steroidal anti-inflammatory drug meloxicam 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.Figure optionsDownload as PowerPoint slide