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Rational Design and Virtual Screening of Antimicrobial Terpene-Based Leads from Marrubium vulgare Essential Oil: Structure-Based Optimization for Food Preservation and Safety Applications.

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Title: Rational Design and Virtual Screening of Antimicrobial Terpene-Based Leads from Marrubium vulgare Essential Oil: Structure-Based Optimization for Food Preservation and Safety Applications.
Authors: Bayoudh A; Laboratory of Enzyme Engineering and Microbiology, Engineering National School of Sfax (ENIS), University of Sfax, P.O. Box 1173, Sfax 3038, Tunisia., Tarhouni N; Laboratory of Enzyme Engineering and Microbiology, Engineering National School of Sfax (ENIS), University of Sfax, P.O. Box 1173, Sfax 3038, Tunisia., Sadraoui R; Laboratory of Biotechnology and Biomonitoring of the Environment and Oasis Ecosystems (LBBEEO), Faculty of Sciences of Gafsa, University of Gafsa, Zarroug, Gafsa 2112, Tunisia., Hadrich B; Department of Chemical Engineering, College of Engineering, Imam Mohammad Ibn Saud Islamic University (IMSIU), Riyadh 11432, Saudi Arabia., Ursu AV; Université Clermont Auvergne, Clermont Auvergne INP, CNRS, Institut Pascal, F-63000 Clermont-Ferrand, France., Pierre G; Université Clermont Auvergne, Clermont Auvergne INP, CNRS, Institut Pascal, F-63000 Clermont-Ferrand, France., Dubessay P; Université Clermont Auvergne, Clermont Auvergne INP, CNRS, Institut Pascal, F-63000 Clermont-Ferrand, France., Michaud P; Université Clermont Auvergne, Clermont Auvergne INP, CNRS, Institut Pascal, F-63000 Clermont-Ferrand, France., Kallel I; Research Laboratory of Environmental Toxicology Microbiology and Health (LR17ES06), Faculty of Sciences, University of Sfax, Sfax 3038, Tunisia.
Source: Foods (Basel, Switzerland) [Foods] 2026 Feb 04; Vol. 15 (3). Date of Electronic Publication: 2026 Feb 04.
Publication Type: Journal Article
Journal Info: Publisher: MDPI AG Country of Publication: Switzerland NLM ID: 101670569 Publication Model: Electronic Cited Medium: Print ISSN: 2304-8158 (Print) Linking ISSN: 23048158 NLM ISO Abbreviation: Foods Subsets: PubMed not MEDLINE
Database: MEDLINE Ultimate
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  Data: Rational Design and Virtual Screening of Antimicrobial Terpene-Based Leads from Marrubium vulgare Essential Oil: Structure-Based Optimization for Food Preservation and Safety Applications.
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  Data: <searchLink fieldCode="AU" term="%22Bayoudh+A%22">Bayoudh A</searchLink>; Laboratory of Enzyme Engineering and Microbiology, Engineering National School of Sfax (ENIS), University of Sfax, P.O. Box 1173, Sfax 3038, Tunisia.<br /><searchLink fieldCode="AU" term="%22Tarhouni+N%22">Tarhouni N</searchLink>; Laboratory of Enzyme Engineering and Microbiology, Engineering National School of Sfax (ENIS), University of Sfax, P.O. Box 1173, Sfax 3038, Tunisia.<br /><searchLink fieldCode="AU" term="%22Sadraoui+R%22">Sadraoui R</searchLink>; Laboratory of Biotechnology and Biomonitoring of the Environment and Oasis Ecosystems (LBBEEO), Faculty of Sciences of Gafsa, University of Gafsa, Zarroug, Gafsa 2112, Tunisia.<br /><searchLink fieldCode="AU" term="%22Hadrich+B%22">Hadrich B</searchLink>; Department of Chemical Engineering, College of Engineering, Imam Mohammad Ibn Saud Islamic University (IMSIU), Riyadh 11432, Saudi Arabia.<br /><searchLink fieldCode="AU" term="%22Ursu+AV%22">Ursu AV</searchLink>; Université Clermont Auvergne, Clermont Auvergne INP, CNRS, Institut Pascal, F-63000 Clermont-Ferrand, France.<br /><searchLink fieldCode="AU" term="%22Pierre+G%22">Pierre G</searchLink>; Université Clermont Auvergne, Clermont Auvergne INP, CNRS, Institut Pascal, F-63000 Clermont-Ferrand, France.<br /><searchLink fieldCode="AU" term="%22Dubessay+P%22">Dubessay P</searchLink>; Université Clermont Auvergne, Clermont Auvergne INP, CNRS, Institut Pascal, F-63000 Clermont-Ferrand, France.<br /><searchLink fieldCode="AU" term="%22Michaud+P%22">Michaud P</searchLink>; Université Clermont Auvergne, Clermont Auvergne INP, CNRS, Institut Pascal, F-63000 Clermont-Ferrand, France.<br /><searchLink fieldCode="AU" term="%22Kallel+I%22">Kallel I</searchLink>; Research Laboratory of Environmental Toxicology Microbiology and Health (LR17ES06), Faculty of Sciences, University of Sfax, Sfax 3038, Tunisia.
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  Data: <searchLink fieldCode="JN" term="%22101670569%22">Foods (Basel, Switzerland)</searchLink> [Foods] 2026 Feb 04; Vol. 15 (3). <i>Date of Electronic Publication: </i>2026 Feb 04.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22MDPI+AG%22">MDPI AG </searchLink><i>Country of Publication: </i>Switzerland <i>NLM ID: </i>101670569 <i>Publication Model: </i>Electronic <i>Cited Medium: </i>Print <i>ISSN: </i>2304-8158 (Print) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2223048158%22">23048158 </searchLink><i>NLM ISO Abbreviation: </i>Foods <i>Subsets: </i>PubMed not MEDLINE
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              Text: 2026 Feb 04
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