Shiff Base Metal Complexes: Synthesis, Biological and Computational Studies

The current study focuses on the synthesis and characterization of Schiff base ligand and metal complexes with Co(II), Ni(II), Cu(II), and Zn(II) in their chloride forms. The ligand is composed of a thiol base amine (2-amino4-chlorobenzenethiol) anddicarbonyl species i.e.1,3-diphenylpropane-1,3-dione. The compounds are identified by IR, UV-visible, Elemental Analysis, Magnetic moment, and EPR studies.All the complexes were tested for antibacterial characteristics using the Agar Well diffusion method. ADME experiments were also conducted through online computer-basedstudy to assess their pharmacokinetic properties. An octahedral geometry has been projected onto all metal complexes, and the ligand behaves as a tetradentate. The newly synthesized compound has demonstrated good antibacterial activity. The pharmacokinetic behaviour reveals information regarding their possible biological applicability. Theoretical studies were also employed to elucidate the optimised energy, stability order, Frontier Molecular Orbitals energy and energy difference between them.