Essential Oil of Origanum vulgare var. aureum L. from Western Romania: Chemical Analysis, In Vitro and In Silico Screening of Its Antioxidant Activity

This investigation aims to assess the chemical composition and antioxidant properties of Origanum vulgare var. aureum L. essential oil (OEO). The was obtained with a 0.34% (v/w dried weight) yield investigated by gas chromatography-mass spectrometry (GC–MS) analysis. main compounds OEO were found be gamma-terpinene (22.96%), para-cymene (14.72%), germacrene (11.64%), beta-trans-ocimene (9.81%), cis-beta-ocimene (7.65%). Furthermore, individual assays 1,1-diphenyl-2-picrylhydrazyl (DPPH) [2,2′-azinobis(3-ethylbenzothiazoline-6-sulfonic acid) diammonium] (ABTS) radical scavenging activities beta-carotene/linoleic acid bleaching carried out. demonstrated better effects on DPPH (IC50 93.12 ± 0.03 μg/mL) ABTS 27.63 0.01 (significantly lower IC50 values; p ≤ 0.001) than ascorbic 127.39 0.45 μg/mL). In assay, exhibited higher Relative activity (RAA %) (82.36 0.14%) but compared butylated hydroxyanisole (BHA) (100%), no significant differences (p > 0.05) observed. According molecular docking results, first two OEO, para-cymene, gamma-terpinene, may potentially contribute biological inhibiting ROS (reactive oxygen species)-producing enzymes such as lipoxygenase xanthin oxidase. These experimental data suggest that could represent valuable new natural source functional in food or pharmaceutical industries.