Investigating Sandoricum koetjape leaf extracts for tyrosinase inhibition: Flavonoid profiles and mechanisms

This study investigates the potential of flavonoid compounds from Sandoricum koetjape leaf extracts as tyrosinase inhibitors, using in vitro and in silico methodologies. Tyrosinase is crucial for melanin synthesis, and its excessive activity leads to hyperpigmentation disorders. The extracts underwent maceration, partitioning, and concentration, followed by tyrosinase inhibition assays and LC-MS/MS analysis. The ethyl acetate fraction showed the highest inhibitory activity, revealing key flavonoids like Kaempferol-3-O-β-Dglucopyranoside and Quercimeritrin. Molecular docking and dynamic simulations provided insights into their binding mechanisms. Kaempferol-3-Oβ-D-glucopyranoside exhibited a binding affinity of -8.4 kcal/mol, while Quercimeritrin had -7.7 kcal/mol. PreADME profiles indicated Quercimeritrin’s higher solubility, better skin permeability, and lower environmental toxicity. This comprehensive evaluation underscores the viability of S. koetjape as a natural source for tyrosinase inhibitors, highlighting the need for further optimization and in vivo studies to confirm efficacy and safety for dermatological applications.