Antimicrobial and anticancer evaluation of Juniperus chinensis seed oil with molecular docking of α-cedrol-AKT1.

Abstract

In this study, the essential oil of Juniperus chinensis L. seeds was analyzed by GC-MS, identifying 25 compounds comprising 99.78% of the oil. α-Pinene (79.63 ± 0.45%) was the major component, followed by β-myrcene, β-pinene, and DL-limonene. The oil exhibited antimicrobial activity with inhibition zones of 11 mm (S. aureus), 6 mm (E. coli), and 4 mm (S. mutans). Antifungal effects were noted against Fusarium solani and Aspergillus niger. Cytotoxicity assays revealed selective effects on MDA-MB-231 breast cancer cells (IC50: 38 µg/mL), with no toxicity to MCF-10A normal cells. Molecular docking demonstrated strong binding affinity of α-cedrol to AKT-1 protein (-7.5 kcal/mol), supported by RMSD stability analysis and hydrogen bonding. ADME profiling confirmed favorable drug-likeness of α-cedrol. These results suggest that J. chinensis L. seed essential oil, particularly as a complex phytochemical mixture containing α-cedrol, holds promise as a natural source for antimicrobial and anticancer agents.