An in-silico study on natural inhibitors of Tyrosinase and its related proteins

During the past few decades, inhibition of the enzymatic activity of Tyrosinase has attracted more attention as a field of research in the pharmaceutical biotechnology, medicine, and cosmetics uses owing to its critical role in skin pigmentation abnormalities. Tyrosinase family (TYR, TYRP۱, TYRP۲), the most noticeable target for melanogenesis, has been studied for years to discover potent inhibitors from natural and synthetic sources. Multiple drugs are known as potent drugs to prevent the enzyme from working normally. Nowadays, more researchers are inclining towards using the organic compound in cosmetic products due to their concerns about toxicity, unwanted side effects. Thus, the focus of this study was on effective inhibitors of the melanin biosynthesis pathway from natural sources. Here in this study, we provided a library of some flavonoids as herbal inhibitors and investigate their inhibitory activity against three target proteins, TYR, TYRP۱, TYRP۲ through homology modeling and docking simulation. Binding energy of all tested compounds were compared to the positive control, kojic acid, and their inhibitory effect are discussed.

Keywords:

flavonoids , homology modeling , molecular docking , tyrosinase , inhibitor