Rhizome essential oil of Curcuma zedoaroides Chaveer. & Tanee: chemical composition, cytotoxic activities, and molecular docking approach

• DOI: 10.1080/0972060x.2024.2314554
• Publication Date: 2024-02-16T05:30:55Z
• Authors: Nguyen Thi Thu; Hieu Tran-Trung; Dau Xuan Duc; Nguyen Xuan Ha; Pham Ngoc Khanh; Nguyen Thanh Tung; Nguyen Van Hoa; Nguyen Hoang Tuan; Do Thi Ha
• Keywords: Docking (animal)

AbstractCurcuma zedoaroides Chaveer. & Tanee (Vietnamese name: Nghệ đắng) belongs to the Zingiberaceae family which is new Curcuma species discovered in Thailand and Vietnam recent years. This study aimed determine chemical compositions cytotoxic activities of C. rhizome essential oil for first time. The was obtained from rhizomes through hydro-distillation analyzed by gas chromatography-mass spectrometry (GC-MS) technique. Results showed that majority dominated oxygenated sesquiterpenes (61.54%) mainly curdione (27.45%), followed widdrol (8.03%) trans-β-elemenone (5.47%). Notably, exhibited using MTT assay with IC50 (half-maximal effective concentration) values 75.16 ± 2.79, 77.08 1.98, 81.35 1.55, 83.67 2.26, 32.74 1.95, 23.14 1.43, 73.35 2.20 μg/mL against A549, MCF-7, HepG2, HT29, HL-60, K562 MDA-MB-231 cells, respectively. In addition, three major compounds targeting specific proteins related oil's anti-cancer activity were assessed molecular docking simulation. From results observed, suggested have highest binding affinity both EGFR HER2, ΔG -6.246 kcal/mol -6.916 kcal/ mol, These suggest potential provide leads development agents as well considered a valuable source bioactive components.Keywords: zedoaroidesEssential oilGC-MSCytotoxic activityMolecular