Nine mixed ligands complexes of Mn(II), Co(II), Ni(II), Cu(II) and Zn(II) with N-acetylcysteine (NAC) as primary ligand and six amine derivatives as secondary ligands were prepared and characterized by elemental and thermal analysis, magnetic measurements, IR and electronic absorption spectra. The study showed the formation of complexes with stiochiometric ratio NAC:M:Amine 1:1:1 and sometimes 1:1:2. The prepared complexes showed enhanced activities towered some gram positive and gram negative bacteria as well as towered Breast Carcinoma; MCF-7 cell line and Lung Carcinoma A- 549 cell lines. The optimized molecular structures of some complexes were determined using DMOL3 program and density functional theory calculation (DFT).