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Metal complexes have been utilized in medicine for thousands of years in a variety of ways, with positive benefits and well recognized as anti-infective, anti-inflammatory, antimicrobial, antidiabetic, neurological agents, delivery prob and diagnostic agents. Based on that Co, Zn, Cu complexes were synthesized and fully characterized. The complexes were then assessed with MDA-MB-453, human breast cancer cell line and the data showed that Cu- ligand complex was the most potent anticancer agent followed by Zn then Co complex. The DFT theoretical calculations were parallel with the biological assessment and support it. In addition, the complexes were tested for their biological activities in both gram positive and negative bacteria and the data revealed that Cu>Zn>Co with strong inhibitory effect on both bacterial growths. In sum, copper complex proved to be potent anticancer and antibacterial agent and can be used for future therapies.