GC-MS profiling and evaluation of anti-tyrosinase and anti-proliferative activities of Curcuma amada leaf essential oil: An integrated experimental and in silico approach

Curcuma amada Roxb. (Zingiberacae) is a highly valued rhizomatous perennial herb widely recognized for its culinary and medicinal properties. However, the anti-tyrosinase and anti-proliferative properties of C. amada leaf essential oil (CALEO) remain unexplored Therefore, the present study aimed to characterize the chemical composition and bioactivities of CALEO with an in silico analysis of its major constituents. A total of 46 compounds, accounting for 90.56% of the total oil, were identified by gas chromatography-mass spectrometry (GC-MS) analysis. CALEO was characterized by a high content of monoterpene hydrocarbons with camphor (13.48%) being the predominant constituent. CALEO showed significant antiproliferative activity against PC3, A375 and HepG2 cell lines with IC50 values of 26.67, 39.14 and 30.89 mu g/mL, respectively. Additionally, CALEO exhibited potent tyrosinase inhibitory activity (IC50: 95.05 mu g/mL) when compared to kojic acid (IC50: 82.84 mu g/mL). Curdione, beta-caryophyllene, germacrone and ar-turmerone showed strong binding affinities (< -5.5 kcal/mol) against mushroom tyrosinase, Bcl-2 and EGFR proteins. PASS prediction results highlighted the dermatological, antimetastatic and antineoplastic potential of spathulenol and beta-caryophyllene. The cell-line cytotoxicity predictor (CLC) results predicted that all the major constituents have strong anticancer activity against various cancerous cell lines. The present results suggest that CALEO could be used as a biologically active natural product with promising antiproliferative and dermatoprotective effects.