Copper is one of the essential metal ions required by Staphylococcus aureus (S. aureus) as a cofactor for synthesis and activity of various enzymes which includes superoxide dismutase. Present work describes the computational studies, particularly, molecular docking investigations of Cu(II) complex in the inhibition of Superoxide Dismutase (SOD) produced in the pathogen S. aureus. The results from this study revealed that the Cu(II) complex will be readily taken up by the organism thereby facilitating easy inhibition or inactivation of SOD. This is due to high affinity of SOD towards copper core of the complex.
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