In Silico and in Vitro Comparison of Anti-tyrosinase Potential of Crocin and Quercetin

Tyrosinase inhibitors are often used in two primary ways: in the cosmetics industry to lighten skin and treat certain dermatological conditions, and in agriculture to stop fruit and vegetables from browning caused by enzymes. This study aimed to compare the anti-tyrosinase and antioxidant potential of Crocin and Quercetin. The work was started by molecular docking (in silico). The experiment was then carried out in a lab setting using a commercial mushroom tyrosinase, pyrocatechol as the substrate, and Kojic acid as a typical enzyme inhibitor. Crocin and Quercetin antioxidant activity was assessed using DPPH radicals. Docking scores presented that Crocin has a great binding affinity towards tyrosinase, ΔG = -۶.۱ Kcal/mol. Quercetin had a binding energy of ΔG = -۸.۰ (kcal/mol). Quercetin exhibited a higher tyrosinase inhibitory effect with an IC۵۰ of ۰.۱۵۸ mM, whereas Crocin showed a lower capacity of inhibition with an IC۵۰ of ۲.۴۹ mM. The types of inhibition were competitive inhibition for Quercetin and mixed inhibition for Crocin. For DPPH radical scavenging activity, the EC۵۰ value for Ascorbic acid was ۰.۱۷۹ mM; this value for Crocin and Quercetin was ۱.۷۴ mM and ۰.۰۳۱ mM, respectively. Quercetin is a powerful and mechanistically simple inhibitor of mushroom tyrosinase, so it is a valuable candidate for several applications targeted at regulating enzymatic browning and melanogenesis. Despite having antioxidant and inhibitory qualities, Crocin may not be as efficient as it may be as a main tyrosinase inhibitor due to its mixed mechanism of inhibition and its lower inhibitory potential.

کلیدواژه ها:

Tyrosinase ، Crocin ، Quercetin ، Melanin