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Synthesis of medically important compounds has drawn much attention to be used in combination with or alternative to conventional antibiotics. Of them, azo ligands and complexes show many biological activates such as its usage in synthesis of sulfonamides. In this study, novel azo ligands and its complexes with Cu(II), Zn(II) and Ag(I) were synthesized by the reaction of the ligand with appropriate metal salt in 1:2 metal to ligand mole ratio and characterized by physicochemical, spectroscopic techniques, Molecular Simulation and the DFT calculation value for Silver complexes with azo ligand. Further, These compounds have tested for their antibacterial activates MRSA as a model microbe. The results show that these complexes have minimum inhibitory concentrations ranged from 90-240 μg/ml, which is lower than a continentally used antibiotic, ampicillin, which has 240 μg/ml as MIC. This result is prime important and these compounds have potentially to be used in multidrug resistant bacteria that may be difficult to be treated with used antibiotics. [ABSTRACT FROM AUTHOR]