Bio functional molecular complexes, ferrocenyl hydrazone based binuclear Cu (II) derivatives: Synthesis, spectral, DNA/BSA binding &in-silico analyses

Abstract

As a first stage intermediate, designing mononuclear complexes of amine-based phenolic derivatives employing Cu (II) acetate as a central metal ion in a 1:2:1 ratio. In a methanolic solution treated with 1,1′-diacetyl ferrocene dihydrazone and Cu (II) perchlorate hexahydrate to generate a new group of ferrocene based macrocyclic binuclear Cu (II) complexes. To characterize the macrocyclic complexes, physico-chemical studies such as FT-IR, UV–vis, and photoluminescence were used. The binuclear Cu(II) complex [Cu2L1] exhibits two quasi-reversible reduction waves in the potential range The binuclear complex [Cu2L1]hastwowaves of virtually reversible reductionin the potential range of E1pc = −1.01 V and E2pc = −1.37 V in the electrochemical investigation. They show a reduction process that involves two one-electron reductions in steps. The ferrocenyl group of the complexes shows one-electron ferrocene/ferrocenium redox activity, although with differing peak potentials. CT-DNA was used to study DNA binding utilizing spectroscopic techniques such as Circular Dichroism, UV–vis, and Fluorescence. The binding constant (Kb) values for the series of complexes range from 1.3x105 to 5.8 × 105 M−1. The metal complexes all interacted with CT-DNA by an intercalative form of binding, according to fluorescence spectrum analyses. BSA protein binding, on the other hand, indicates a quenching manner of interaction with the binuclear complex system, with binding constants of 1.77 × 106, 1.65 × 106, 2 × 106, 4.8 × 106 and 5.12 × 106 M−1. Molecular docking analysis was used to support and augment the experimental biological studies. Intercalation was seen during the docking of 1BNA with a metal complex due to multiple hydrogen bonding interactions. The ferrocene heterocyclic ring and the naphthyl group of complexes interacted with the BSA protein's ARG and TYR systems.