Bacterial resistance to the current applied antibacterial drugs represents an important threat to human health and overcoming such an issue is a critical challenge. Metal-based medications constitute a useful chemotherapeutic approach possessing the possible ability to overcome drug resistance because of their unique structural characteristics and related distinct modes of action. In the current study, the pyridyl-arylidine shiff base ligand (formed from 2-amino-3-methylpyridine and salicylaldehyde) interacted with a number of transition metals (Pd(II), Co(II), Cu(II), and Ag(I)) resulting in the formation of the corresponding metal complexes. Thermal analysis, the appropriate spectroscopic tools (1H-NMR, FT-IR, and UV-vis.), molar conductivity, magnetic moment, and elemental analyses were applied to investigate the afforded HL and the derived compounds. Thermal analysis besides C.H.N analytic results verified the formulae of the Schiff base ligand and metal compounds. The compounds (Pd(II), Co(II), Cu(II) and Ag(I) revealed electrolytic behavior as shown by their molar conductivity values. The obtained Pd(II) and Cu(II) complexes exhibited square planar geometrical shapes, except for the Co(II) and Ag(I) complexes, which displayed tetrahedral geometry. Thermal analysis, results revealed, that the Pd(II), Co(II) and Cu(II) complexes consistently liberate ligands and anionic components following; the initial loss of H2O molecules of hydration. Besides the purity confirmation of the investigated samples, XRD diffraction patterns elucidated their lattice dynamics. They demonstrated that the complexes of Co(II) and Ag(I) have a crystalline structure revealing a particular average size, of the crystallites. The resulting metal complexes, were investigated for their antimicrobial activity and demonstrated superior antibacterial efficiency than the free un-complexed legend. Interestingly, cobalt and silver-based complexes showed potent activity against E. coli that were found to be more potent than those recorded for Neomycin. Molecular docking results for defining and anticipating the inhibitory potential and binding procedure of generated ligand with 3ty7, 3t88 and 5k04 receptors for Staphylococcus Aureus, Escherichia coli and Candida albicans, respectively were investigated.