HARNESSING TYROSINASE ACTIVATION FOR VITILIGO INTERVENTION: AN IN SILICO STUDY OF SIVAKARANDHAI KARPAM FROM SIDDHA MEDICINE

Abstract

Vitiligo is a chronic skin disorder characterized by the progressive destruction of melanocytes, resulting in depigmented patches on the skin. Tyrosinase, a key enzyme in the melanogenesis pathway plays a central role in melanin synthesis and is considered a critical target for therapeutic intervention in vitiligo.

Materials and Methods:

Sivakarandai (Sphaeranthus amaranthoides), a medicinal plant renowned for its diverse pharmacological properties and traditionally used as a kaya karpam (rejuvenation therapy) in Siddha medicine, was investigated in this study for its potential anti-vitiligo activity using in silico approaches. Phytochemicals from Sphaeranthus amaranthoides were retrieved and subjected to molecular docking to assess their binding affinity towards the tyrosinase enzyme. In-silico docking simulations were performed using Auto Dock v4, followed by interaction visualization in drug discovery Studio, to evaluate the binding efficacy of 4 bioactive compounds with the target protein tyrosinase.

Results:

Among the screened compounds, Chrysosplenol, Palmitic acid, Linoleic acid, and Squalene demonstrated notable docking scores ranging from -4.83 to -7.28 kcal/mol and formed three to four interactions with active site residues. Squalene exhibited the highest binding affinity, while Chrysosplenol, Palmitic acid shared four common active site interactions with the tyrosinase enzyme. Linoleic acid shared three active site residues.

Conclusion:

The study highlights that these bioactive compounds exhibit favorable binding affinities and stable interactions within the tyrosinase active site, suggesting their potential for novel anti-vitiligo properties. Further, in vitro and in vivo studies are warranted to validate these findings and explore their therapeutic efficacy.