Synthesis, characterization, antimicrobial studies, and molecular docking studies of transition metal complexes formed from a benzothiazole-based azo ligand

ABSTRACT. The azo ligand obtained from the diazotization reaction of 2-aminobenzothiazole and 4-nitroaniline yielded a novel series of complexes with Co(II), Ni(II), Cu(II), and Zn(II) ions. The complexes were investigated using spectral techniques such as UV-Vis, FT-IR, 1H and 13C NMR spectroscopic analyses, LC-MS and atomic absorption spectrometry, electrical conductivity, and magnetic susceptibility. The molar ratio of the synthesized compounds was determined using the ligand exchange ratio, which revealed the metal-ligand ratios in the isolated complexes were 1:2. The synthesized complexes were tested for antimicrobial activity against S. aureus, E. coli, C. albicans, and C. tropicalis bacterial species.  Additionally, their binding affinities were predicted using molecular docking analysis, and their pharmacokinetic and drug-likeness properties were evaluated.   KEY WORDS: Azo ligand, Metal complexes, Antimicrobial studies, Molecular docking study   Bull. Chem. Soc. Ethiop. 2023, 37(4), 931-944.                                                              DOI: https://dx.doi.org/10.4314/bcse.v37i4.10