Phytochemical, Antimicrobial, Insect-Repellent, and Molecular Docking Profiles of Gamma-Irradiated Cymbopogon...

Gamma irradiation is one of the techniques widely authorized for the decontamination of dried herbs and spices. Its effect on the functional properties of essential oils, however, remains incompletely characterized. In this study, we examined the impact of gamma irradiation (at 5, 15, and 25 kGy) on the phytochemical composition, antimicrobial activity, antioxidant capacity, and insect-repellent activity of Cymbopogon citratus essential oil. The GC-MS analysis revealed that the citral-dominant chemotype remained stable across all irradiation doses, with geranial and neral constituting approximately 62-63% of the volatile profile. The antibacterial assays were done on five bacterial strains (Staphylococcus aureus, Bacillus subtilis, Streptococcus spp., Pseudomonas aeruginosa, and Klebsiella pneumoniae). Inhibition zones showed no statistically significant differences across irradiation doses (p ≥ 0.05), while MIC (75-100 µg/mL) and MBC (125-150 µg/mL) values remained constant across all doses. DPPH, ABTS, and FRAP antioxidant assays revealed no dose-dependent changes (DPPH IC₅₀: 688-703 µg/mL; ABTS IC₅₀: 18-22 µg/mL; FRAP: 505-517 µg/mL ascorbic-acid equivalents). The essential oil exhibited pronounced repellent activity (87-99%) against adult Tribolium confusum beetles at 0.125 µL/cm², persisting for 24 h and unaffected by irradiation. Molecular docking of the major constituents (geranial, neral, geraniol, and β-myrcene) against key target proteins (3N7H, 3NVY, 4URM, and 8BN6) provided predictive support consistent with the observed activities, indicating plausible molecular interactions rather than confirmed target engagement. In silico ADME and toxicity profiling indicated favorable predicted pharmacokinetic properties and no major in silico toxicity alerts for the four modeled constituents. Taken together, these findings indicate that, under the conditions tested, gamma irradiation at food-decontamination doses produced no major shifts in composition and no statistically detectable changes in the measured bioactivities of C. citratus essential oil.