New tetra-azamacrocyclic complexes of Ni (II) and Cu(II) have been synthesized by template methodology leading to the formation of complex of type [MLX2] where L is a macrcocyclic ligand obtained from the condensation of 4-Methyl-o-phenylenediamine (DAT) and 1,3-diphenylpropane-1,3-dione (DBM)and X = NO3-, Cl-, and CH3COO-. Characterization of newly prepared complexes has been done by using various physico-analytical techniques like UV-visible, IR, ESR, CHN, Magnetic susceptibilities and PXRD. The non-electrolytic nature of the complexes was elucidated by lower value of molar conductance. The data received from various techniques give an indication towards the octahedral geometry of the complexes. The macrocyclic ring is present at the equatorial position whereas the axial positions are occupied by the ligands Cl-, NO3- and CH3COO-. Screening of all the complexes has been performed against the pathogenic strains of microbes in order to check their antimicrobial potential. Invitro-hemolytic activity reveals about the extent to which lyses of hemoglobin takes place. The Herring fish sperm DNA interaction studies are carried out with the help of UV-absorption spectra. Molecular modeling was done through the assistance of software Chem 3D Ultra that gives the energy calculation and their quantum chemical parameter.