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February 14, 2026Foods0 citationsOpen Access

Optimizing Antibacterial Essential Oil Blends from Helichrysum plicatum, Petroselinum crispum, and Origanum vulgare for Dairy Preservation: Mixture Design and In Silico Analysis

JŽJelena ŽivkovićJPJovana PetrovićHYHiba Yahyaoui

Key Points

  • The research aims to optimize antibacterial essential oil blends from specific plants for dairy preservation.
  • Conducted GC/MS and GC/FID analyses of essential oils for chemical composition.
  • Applied an augmented simplex-centroid mixture design to optimize essential oil formulations.
  • Performed in silico analysis to evaluate drug-likeness, pharmacokinetics, and binding to bacterial targets.
  • Identified optimal antimicrobial formulation at a 16:16:68 ratio of the three essential oils.
  • Found major components of essential oils showed promising drug-like properties.
  • Simulations indicated good oral absorption and acceptable safety profiles for key compounds.

Abstract

This study demonstrates the potential of Helicrisum plicatum (H. plicatum), Petroselinum crispum (P. crispum) and Origanum vulgare (O. vulgare) essential oils and their combination against four strains of two bacterial species, Listeria monocytogenes (L. monocytogenes) and Escherichia coli (E. coli), isolated from milk. GC/MS and GC/FID analyses of H. plicatum essential oil revealed α-pinene (27.61%), γ-curcumene (20.7%) and neryl acetate (5.88%) as the main compounds present in H plicatum essential oil. The main components of the essential oil of P. crispum were α-pinene (17.34%), 1,3,8-p-menthatriene (23.66%), β-phellandrene (10.41%) and myristicin (12.7%). In O. vulgare essential oil, carvacrol (58.3%), o-cymene (15.4%) and thymol (6.0%) were predominant compounds. Subsequently, an augmented simplex-centroid mixture design was applied to optimize the antibacterial efficacy of EO formulations against L. monocytogenes and E. coli. The simultaneous optimization all responses indicates that the optimal antimicrobial formulation was achieved using a ternary mixture of H. plicatum, P. crispum, and O. vulgare in a 16:16:68 (v/v/v) ratio. In parallel, an in silico study of four main essential oil components evaluated their drug-likeness, pharmacokinetic and toxicity properties, and binding to bacterial targets. These major compounds satisfy the main standards for drug-like molecules, with simulations pointing to good oral absorption, an acceptable safety profile, and stable binding to key enzymes in E. coli and L. monocytogenes, which supports their antibacterial potential. Overall, these combined experimental and computational results point to oregano, parsley, and immortelle essential oils as promising natural antimicrobial options for improving the preservation of dairy products.

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Cite This Study

Živković et al. (2026) studied this question.

synapsesocial.com/papers/699011932ccff479cfe584e1https://doi.org/10.3390/foods15040675
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