A series of Fe(III), Ni(II) and Cu(II) complexes had been synthesized with molecular formula of [Fe(L)(H2
O)2Cl].2H2O, [Ni(L)(H2O)].2H2O and [Cu(L)(H2O)3].2H2O, where L is a Schiff base ligand was derived by condensation of anthranilic acid with 2-hydroxy-benzaldhyde. Structures of the obtained compounds had been characterized using elemental analyses, UV-Vis., FT-IR, magnetic moment and conductivity measurements. Results proposed octahedral geometry for both of Fe(III) and Cu(II) complexes while Ni(II) complex had a square planar geometry. Density Functional Theory (DFT) calculations were performed to confirm the 3D geometry of the compounds and estimate selected electronic parameters (e.g. chemical potential, hardness and electrophilicity index). Moreover free ligand and its metal complexes had been screened for in-vitro antibacterial (Escherichia coli (G-) and Bacillus cereus (G+)) and antifungal (aspergillus fumigatus) activities in terms of the minimum inhibitory concentration (MIC). Results indicated that biological activity increases with complexation.