Drug repurposing and AI-driven discovery of tyrosinase inhibitors, emerging strategies for skin disorders: A review.

Skin pigmentation is primarily regulated by melanin synthesis, a process that is tightly controlled by tyrosinase, a copper-containing enzyme essential for melanogenesis. Due to its pivotal role, tyrosinase has emerged as a key therapeutic target for managing hyperpigmentation disorders. This review examines recent advances in the identification of tyrosinase inhibitors through drug repurposing and artificial intelligence (AI)-driven approaches. Furthermore, we provide an analysis of the advantages and limitations associated with each AI model employed in drug discovery, critically evaluating their strengths and weaknesses at various stages of drug development pipeline. Additionally, we explore the molecular features driving the inhibitory activity of tyrosinase inhibitors through detailed structure-activity relationships (SAR), offering valuable insights for the rational design of more potent inhibitors. Finally, we highlight the integration of AI-guided predictions with experimental validation to accelerate the discovery of effective tyrosinase inhibitors for both therapeutic and cosmetic potential.