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Essential oils produced from aromatic plants denote significant biological activities and are gaining prominence in scientific research. In this study, the chemical composition, anti-tyrosinase activity, and molecular docking studies of  Knema malayana  Warb. essential oil was investigated. A hydrodistillation method was used to produce the essential oil, characterised by gas chromatography (GC-FID) and gas chromatography-mass spectrometry (GC/MS). Additionally, anti-tyrosinase activity was evaluated against mushroom tyrosinase, while molecular docking studies were performed with the major components. A total of 38 components (98.9%) were successfully identified in the essential oil, which was characterised by high proportions of δ-cadinene (20.2%), α-cadinol (13.7%), α-amorphene (10.3%), γ-cadinene (6.3%), α-gurjunene (5.3%), γ-gurjunene (5.3%), and α-muurolene (5.0%). The essential oil demonstrated moderate activity towards tyrosinase activity with an IC 50  value of 85.3 μg/mL. Consequently, the best docking energy was observed with α-amorphene (-6.9 Kcal/mol), which successfully formed interactions with His263, Phe264, and Val283. These interactions were essential amino acid residues of the tyrosinase receptor.

Chemical Composition, Anti-tyrosinase Activity and Molecular Docking Studies of Knema malayana Warb. Essential Oil