Exploration of Mechanistic Insights of Acemetacin in Melanogenesis Through Zebrafish Model, Enzyme Kinetics, Molecular Docking and Simulation Approaches
Abstract
The present study describes the anti- melanogenesis effect of Acemetacin (ACE). Essential
protein (melanin) that is vital for the skin for defense from UV rays. In the present research,
emerging drug ACE was examined for its melanin inhibition using three different (in vitro, in vivo
and computational) methods. ACE showed remarkable potency (IC50 = 0.353 ± 0.003 μM) against
tyrosinase in the comparison of standard, kojic acid (IC50 = 16.841 ± 1.161 μM) and ACE
exhibited competitive inhibition. In the in vivo study zebrafish embryos were exposed with 5, 10,
15 and 20 μM of ACE and same doses for positive control (Kojic Acid). At 72 h treatment, ACE
expressively (P<0.001) reduced the level of pigmentation (62.89%) at a concentration of 20 μM,
relative to that of kojic acid (39.64%). The binding profile of ACE was confirmed by molecular
docking and the stability of the docked complexes was justified by MD simulation. Based on our
results, it was concluded
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