1‐Benzyl‐1H‐indazol‐3‐ol Copper(II) Derivatives as Anticancer Agents: In‐vitro Interaction with DNA/BSA, DFT, Molecular Docking and Cytotoxicity on MCF7 Cells

Abstract

AbstractA set of three copper(II) complexes C28H24CuN4O2 [CuL1], C24H22CuN4O [CuL2] and C26H22CuN4O [CuL3] incorporated with ligands 1‐benzyl‐1H‐indazol‐3‐ol, 2,2′‐bipyridyl and 1,10‐phenanthroline have been synthesized, characterized and subjected for biomedical applications. New copper(II) derivatives were characterized by FTIR, EPR and HRMS spectral tools. Cyclic voltammograms were recorded to ascertain redox potential and UV‐Vis and Fluorometer were employed to establish photophysical properties of all the new copper(II) complexes. Further, these derivatives of Cu(II) were subjected for DNA and BSA binding studies by using absorption‐emission spectral methods and viscosity measurements as well as by molecular docking. DFT studies of the above‐mentioned derivatives suggested square planar geometry along with other relevant molecular investigations. Eventually, these new Cu(II) complexes have been tested with DPPH and MTT assay to determine the cytotoxicity against MCF7 cell lines to observe remarkable potency with IC50 values 80.68 μg/ml, 49.40 μg/ml and 45.91 μg/ml, respectively.