Turk Hijyen ve Deneysel Biyoloji Dergisi, cilt.82, sa.1, ss.67-84, 2025 (Scopus)
Objective: Due to the secondary metabolites, edible plants have been a recent focus in the literature for their biotherapeutic effects and functional food potentials. Discovering the aromatic bioactive components of plants consumed as food is of great importance in an ethnobotanical vision. In this context, the study investigated Helichrysum arenarium L., Origanum sipyleum L., Plantago major L., and Rumex spp. species both in vitro and in silico. Methods: The volatile composition and identification of these plants were determined using carboxen-polydimethylsiloxane / solid-phase microextraction (CAR-PDMS/SPME) fiber with gas chromatography/mass spectrometry (GC/MS) method. Moreover, the antioxidant activities of the plants were determined using a 2,2′-diphenyl-1-picrylhydrazyl (DPPH) radical and β-carotene-linoleic acid assays. To determine their antioxidant activities and inhibitory effects on oral cancer, molecular docking analysis was conducted. Also, ADMET (absorption, distribution, metabolism, elimination and toxicity) properties were identified, the presence of carcinogenic and mutagenic components was investigated, and their potentials for various diseases were revealed through PASS (prediction of activity spectra for substances) analysis. Results: The results indicate that the plants exhibit a rich profile of volatile bioactive compounds, with the highest bioactive compound content found in Rumex spp. Compared with other plants, Helichrysum arenarium was found to have the highest antioxidant potential and in silico anticancer potential. Additionally, it was determined that the various volatile compounds of the plants could have protective effects on the gastrointestinal system and could be used particularly for stomach complaints. Conclusion: This investigation shows that these plants may have pharmaceutical and dietary potential as functional foods.