Theoretical, biological and in silico studies of pendant-armed heteroleptic copper(II) phenolate complexes

Multi-target activity of copper complexes: Antibacterial, DNA binding, and molecular docking with SARS-CoV-2 receptor

“…3 ). The mass data has strongly confirmed the proposed molecular formulae of the pendant-armed mixed-ligand Cu(II) complexes [ 17 ].

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“…The complexes exhibit a well-resolved band at 724–786 nm, which can be assigned to the 2 A 1 '→ 2 E 1 '', transition in D 5h symmetry. The above results, especially d–d transitions support the pentagonal-bipyramidal environment around the copper(II) nuclei [ 17 , 22 ]. EPR spectra of the copper(II) complexes reveal magnetic moment (μeff) values (1.57–1.63 BM) slightly lower than the spin-only value (1.73 BM) of the high-spin Cu(II) center with S ½ indicating discrete mononuclear complexes [ 17 ].…”

“…UV–Vis spectral data has been widely used for the determination of molecular geometry [ 6 , 17 ], therefore the newly synthesized pendant-armed mixed-ligand copper(II) complexes ( 1 – 6 ) were recorded using DMF ( Fig. 4 ).…”

“…The ligands H 2 L 1–3 and similar type of other ligands was synthesized and reported by our group [ 16 , 17 , 19 ].…”

“…The diversified applications of heteroleptic complexes support the development of methods with increased selectivity and great importance in pharmacological and environmental chemistry [ 15 , 16 ]. We have recently reported similar type of pendant-armed heteroleptic copper(II) phenolate complexes and studied their biological and in silico studies [ 17 ].…”