Anti-melanogenic, antioxidant potentialities and metabolome classification of six Ocimum species: Metabolomics and in-silico approaches

This investigation was designed to evaluate the anti-tyrosinase and antioxidant potentialities of leaves and inflorescences of six Ocimum species. Currently, cosmaceutical and nutraceutical industries are looking for sources that are substitutes for synthetic agents which are natural or plant-derived bioactive components which are non-toxic skin lightening agents and antibrowning agents for fruits and vegetables. Both leaves and inflorescences of all the Ocimum species demonstrated anti-tyrosinase activities in a dose-dependent manner. GC/MS revealed seven phenolic compounds viz., p-arbutin, quinic acid, ferulic acid, 1,2,4-benzene triol, gallic acid, vanillic acid, and p-coumaric acid present in the studied plant parts and exhibited antityrosinase activity with significant IC50 values. Metabolomic and chemometric strategies deciphered metabolome classification of the studied species. Seven identified phenolic compounds showing anti-tyrosinase activity were further subjected to in silico analysis to explore their binding mechanism with tyrosinase enzyme, and were found to interact with the targeted enzyme with high binding affinity.