Deferasirox pyridine solvate and its Cu(II) complex: Synthesis, crystal structure, Hirshfeld surface analysis, antimicrobial assays and antioxidant activity

•Deferasirox pyridine solvate and its Cu(II) complex were synthesized and fully characterized.•The structure of both compounds was determined using X-ray single crystal diffraction.•Hirshfeld surface analyses were performed to explore inter-molecular interactions.•The antimicrobial activities of these compounds against microorganisms were evaluated.•Antioxidant studies have been performed. Deferasirox pyridine solvate [(DFX)(py)] and its Cu(II) complex [Cu(DFX)(py)], (DFX= deferasirox, py=pyridine) were synthesized and characterized using several techniques such as elemental analysis, Fourier-transform infrared (FTIR), molar conductivity and vibrating sample magnetometer (VSM). In addition, the structure of both compounds was determined using single-crystal X-ray diffraction method. In the case of the Cu(II) complex, it was found that the Cu(II) central ion was surrounded by the ONO donor atoms of deferasirox and the nitrogen atom of pyridine. Antimicrobial activities of the synthesized compounds were investigated against Staphylococcus aureus, Bacillus cereus, Escherichia coli, and Pseudomonas aeruginosa bacteria. Likewise, the antibiofilm activity of these compounds was investigated against S. aureus and P. aeruginosa bacteria. It was observed that the [Cu(DFX)(py)] complex presented higher antimicrobial and antibiofilm activities compared with the other compounds. The antimicrobial property of these compounds was also evaluated using molecular docking with GlcN-6-P synthase. Furthermore, the antioxidant activity of the compounds was evaluated using 1,1-diphenyl-2-picrylhydrazyl (DPPH) scavenging method. The [Cu(DFX)(py)] complex demonstrated a strong antioxidant activity with the IC50 of 1.1 mM. [Display omitted]