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article · Food Bioscience

Phytochemical profiling and double-target antimicrobial evaluation of Hordeum vulgare L. (Saïda 183 variety seeds): An integrated in vitro and in silico study

In plain language

Researchers evaluated the phytochemical profile and antimicrobial potential of a hydromethanolic seed extract from the Saïda 183 variety of barley, Hordeum vulgare L. Chemical analysis revealed measurable concentrations of phenolics and flavonoids alongside bioactive classes such as alkaloids, tannins, and terpenoids. Gas chromatography identified 48 compounds, predominantly tetramethylpyrazine, oxirane-2-carboxylic acid ethyl ester, and specific fatty acids. Laboratory testing demonstrated that the extract possessed selective antimicrobial effects, generating notable zones of inhibition against Staphylococcus aureus, Salmonella typhimurium, and Candida albicans at high concentrations. Computational docking simulations against targeted bacterial and fungal enzymes indicated that constituent fatty acids, especially n-hexadecanoic acid and 9,12-octadecadienoic acid, could interact favourably with microbial targets through hydrophobic bonds. Further evaluations, including concentration thresholds, compound isolation, and toxicity testing, remain necessary.

Key takeaways

  • Hydromethanolic extracts of Saïda 183 barley seeds contain diverse bioactive metabolites, including phenolics, flavonoids, and fatty acids.
  • Gas chromatography tentatively identified 48 compounds, with tetramethylpyrazine and fatty acids among the principal constituents.
  • The seed extract showed selective antimicrobial activity against Staphylococcus aureus, Salmonella typhimurium, and Candida albicans.
  • Computational docking indicated that major fatty acids from the seeds bind favourably to critical bacterial and fungal enzyme targets.

Why it matters

Identifying natural sources of antimicrobial agents is increasingly important for managing microbial infections. This research characterises the chemical composition of a specific barley seed variety and demonstrates its ability to restrict the growth of common bacteria and fungi in laboratory conditions. Understanding these properties provides a foundation for exploring agricultural by-products and crop varieties as sources of natural antimicrobials.

Commercialisation angle

This research is at an early laboratory stage. The findings could inform future product development for natural preservatives or antimicrobial agents, relevant to researchers, food scientists, and pharmaceutical developers. However, substantial work remains before real-world use can occur, as the abstract notes that compound isolation, minimum inhibitory and fungicidal concentration assays, enzymatic studies, and toxicity testing are still required.

AI-generated from the published abstract. Always read the original work before citing.

Abstract

This study investigated the phytochemical composition, antimicrobial activity, and possible molecular interactions of the hydromethanolic extract of Hordeum vulgare L. Saïda 183 seeds. Quantitative analysis revealed a total phenolic content of 17.67 ± 0.58 mg of gallic acid equivalents per gram of dry extract and 24.19 ± 1.00 mg of quercetin equivalents per gram of dry extract of total flavonoids. Qualitative phytochemical screening revealed the presence of several bioactive metabolite classes, including polyphenols, tannins, alkaloids, flavonoids, glycosides, terpenoids, and free quinones. The Gas Chromatography-Mass Spectrometry analysis led to the tentative identification of 48 compounds, with tetramethylpyrazine (27.80%), oxirane-2-carboxylic acid ethyl ester (17.34% and 7.76% across two chromatographic peaks), n -hexadecanoic acid (12.07%), 9,12-octadecadienoic acid (Z,Z) (10.74%) as the major constituents. The extract exhibited a selective antimicrobial profile, showing moderate to notable activity against Staphylococcus aureus and Salmonella typhimurium using the agar well diffusion method, with inhibition zones of 24 ± 2.5 mm and 23 ± 1 mm at 100 mg/mL, respectively. In the antifungal assay, the strongest activity was observed against Candida albicans , with an inhibition zone of 20 ± 0.7 mm at 100 mg/mL. Molecular docking simulations were performed against DNA gyrase, dihydrofolate reductase, lanosterol 14-α demethylase, and β-1,3-glucan synthase to explore possible mechanisms underlying the observed antimicrobial effects. The docking results suggested that fatty acids, particularly n -hexadecanoic acid and 9,12-octadecadienoic acid, displayed favorable predicted binding profiles, mainly driven by hydrophobic interactions with key residues in the selected microbial targets. Overall, these findings suggest that H. vulgare L. Saïda 183 seeds possess selective antimicrobial properties that warrant further investigation. Future studies, including minimum inhibitory concentration, minimum bactericidal concentration, and minimum fungicidal concentration, compound isolation, enzymatic inhibition assays, and toxicity evaluation, are required to confirm the biological relevance of these results.

Research topics

  • Heavy Metals in Plants
  • Food Science and Nutritional Studies
  • Hibiscus Plant Research Studies

Read the original research

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DOI: 10.1016/j.fbio.2026.109784

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