Discovery of skin lightening agents in Curcuma longa using computational methods

Résumé

Curcuma longa has been reported to impart fairness to human skin traditionally. However, the empirical evidence of this report has barely being actualized. Efforts were made by using Molecular Docking approach and Adsorption Distribution Metabolism Excretion and Toxicity (ADMET) analysis to identify the potential compounds responsible for imparting fairness. The results showed that the hit compounds - Turmerone, curlone, 6-Octadecenoic acid (Z)-, Ar-turmerone, 9-Octadecenoic acid and Hexanoic acid, 5-oxo-,ethyl ester were the most abundant compounds with percentages 16.7 %, 9.31 %, 9.19 %, 7.98 %, 6.65 % and 5.24 % have more stable binding affinity on the human tyrosinase-related protein 1 and ADMET analysis proved these hit compounds to be skin friendly.

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