Development and structure elucidation of new VO2+, Mn2+, Zn2+, and Pd2+ complexes based on azomethine ferrocenyl ligand: DNA interaction, antimicrobial, antioxidant, anticancer activities, and molecular docking

An organometallic azomethine ferrocenyl ligand (FCAP) and its transition metal complexes ([M (FCAP)2], where M = VO2+, Mn2+ cations, and [M (FCAP) (CH3COO− or NO3−)], where M = Zn2+ and Pd2+ cations) were prepared. Their structures were confirmed via various spectral and physicochemical studies performed. The crystallinity of the investigated metal chelates was confirmed by X‐ray diffraction data. The spectral data of the FCAP azomethine ligand and its metal chelates were explained concerning the structural changes due to complex formation. From the electronic spectra and the magnetic moments, the information about geometric structures can be concluded. The activation thermodynamic parameters of the thermal degradation for FCAP complexes were calculated utilizing the method of Coats–Redfern. in vitro antimicrobial, anticancer, and antioxidant activities of FCAP azomethine ligand and its complexes were screened. All the investigated metal chelates exhibited superiority on the free FCAP ligand in successful treatment. Moreover, the binding nature of the investigated complexes with calf thymus DNA (ctDNA) was examined by various methods such as spectrophotometry, viscosity, and, gel electrophoresis. Their binding feature to ctDNA was proposed to be electrostatic, intercalation, or replacement mode. Furthermore, molecular docking inspection has been conducted to clarify the nature of the binding and binding affinity of protein synthesized compounds (PDB:3hb5). Some new metal chelates incorporating Zn2+, VO2+, Mn2+, and Pd2+ cations and FCAP azomethine ligand have been prepared, and their structures are elucidated via different spectroscopic tools. Moreover, the prepared metal chelates were screened for their antimicrobial, antioxidant, and anticancer activities, and the results indicate that the metal complexes exhibit a stronger biological efficiency compared to their corresponding imine ligand. Furthermore, the binding of the investigated metal chelates with CT‐DNA had been observed using viscosity, gel electrophoreses, and spectral studies, and the results confirmed good binding of the investigated complexes to DNA.