Synthesis, characterization, antimicrobial activity and molecular docking study of transition metal complexes based on azo coumarin and thiosemicarbazone derivative

Mixed ligand metal complexes of Co(II), Fe(III), Cu(II), Zn(II), Cd(II) and Hg(II) metal ions with azo coumarin and thiosemicarbazone derivative have been synthesized. Synthesized ligands were supported by spectroscopic techniques such as IR, ¹HNMR, ¹³CNMR and mass analysis while the structure and probable geometry of metal chelates were explored by FTIR, elemental analysis, molar conductance, mass spectrum, thermogravimetry (TG), and electronic spectra (UV). From thermal studies, activation energy and kinetic parameters (ΔG, ΔH, ΔS) of the complexes were also reported. Synthesized ligands and their metal complexes were studied for antimicrobial potential against various bacterial and fungal pathogens. Further, the antioxidant potential screening was done using 1,1-diphenyl-2-picrylhydrazyl. Synthesized metal complexes displayed modest to excellent antimicrobial potential. The topoisomerase II receptor protein was used for molecular docking of the extraordinary antimicrobial Co and Zn-complex.