Introduction: Tyrosinase is a copper-containing oxygenase involving in melanin synthesis and could cause hyperpigmentation and browning in human skin, fruits, and vegetables. Inhibitors of this metalloenzyme have various applications in pharmaceutical biotechnology, agricultural industry, and cosmetics as skin-whitening agents. Multiple traditional herbals are known as potent drugs to prevent the enzyme from working normally.
Methods: In the current article, we provided a library of some flavonoids as natural inhibitors and conducted a study on tyrosinase through homology modeling and molecular docking techniques to provide the probable interaction and binding energy of the selected compounds. Also, Kojic acid, a proven inhibitor of tyrosinase, was used as a positive control.
Results: Our post docking analysis showed among all tested compounds, Glabrene, Artocarpesin, Norartocarpetin, and Steppogenin displayed the lowest binding energies that show their remarkable inhibitory effect against Tyrosinase.
Conclusion: These in-silico results recommended four flavonoids as potent candidates of melanogenesis medication for further inference in the drug development process.