GC-MS Characterization and Bioactivity Study of Labill. (Myrtaceae) Essential Oils and Their Fractions: Antibacterial and Antioxidant Properties and Molecular Docking Modeling.

Background/objectives: is a medicinal plant extensively used by the Moroccan population for treating a range of illnesses, especially respiratory conditions.

Methods: This study aimed to assess the antioxidant and antibacterial properties of essential oil and its individual fractions (F1, F2, and F3). Antioxidant activity was evaluated through iron-reducing power, 2,2'-azino-bis (3-ethylbenzothiazoline-6-sulfonic acid) (ABTS), and 2,2-diphenyl-1-picrylhydrazyl (DPPH) assays. Antibacterial activity was tested using disk diffusion and dilution methods, supported by molecular docking studies. Furthermore, GC-MS analysis was conducted on the essential oil and its individual fractions.

Results: GC-MS analysis identified the major compounds in the essential oil and its fractions as eucalyptol (62.32-42.60%), globulol (5.9-26.24%), o-cymene (6.89-24.35%), cryptone (7.10-15.95%), terpinen-4-ol (2.43-15.24%), and α-pinene (2.46-7.89%). Fraction F3 displayed the highest antioxidant activity in DPPH (IC = 3.329 ± 0.054 mg/mL) and ABTS assays (IC = 3.721 ± 0.027 mg/mL), while fraction F2 was most effective in the FRAP assay (IC = 1.054 ± 0.008 mg/mL). The essential oil and its fractions also showed antibacterial activity against , , , , , and . Molecular docking further corroborated these findings, supporting both antioxidant and antibacterial activities.

Conclusions: The present findings demonstrate the antioxidant and antimicrobial properties of essential oil and its fractions, underscoring the need for further research to confirm their medicinal potential and explore pharmaceutical applications.