DNA interaction perspectives of sulphur containing Knoevenagel condensed copper(II) complexes: Molecular docking, DFT, anti-biogram and insilico assessment

•Synthesis of Cu(II) complexes incorporating Knoevenagel condensate β-diketimines.•The optimized geometry and the quantum mechanical examinations using Gaussian 09 W software.•All the synthesized compounds are docked against 7AEH protease of SARS – CoV-2 target.•In silico and in vitro analyses of the synthesized compounds.