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Study of Interaction between Complexes of Copper (II) and Melanin Pigment by Molecular Modeling

Lebbad Fatima, M Merad, Nouria Boussalah, Said Ghalem, Nasimudeen R Jabir and Mohammad A. Kamal

Tyrosinase is a metalloenzyme belonging to the group of oxidoreductase enzymes. Like many redox enzymes, copper (Cu) ion is present in its active site. We designed an in silico study of 8 previously reported complexes of copper, which catalyze the oxidation reaction of catechol ortho-quinone with different re-activities by calculating steric energies using EMO and Gaussian09 program. The catalytic activity of these complexes depends on several factors such as size of the side chain hydroxyl group. These interesting results could lead to new developments in synthetic biochemistry such as generating more stable conformers.