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<p>This study provides a comparative evaluation of the chemical composition and biological activity of waste sage (<i>Salvia officinalis</i> L., Lamiaceae) extracts obtained using three extraction techniques: maceration, heat-assisted extraction, and microwave-assisted extraction, combined with three ethanol concentrations (30, 50, and 70%). The primary aim was to investigate whether advanced extraction methods, such as microwave-assisted extraction, offer superior efficiency in the recovery of bioactive compounds from herbal industrial waste compared to conventional techniques. Extraction yields varied between 14.5 and 56%, depending on the method and solvent polarity. Comprehensive untargeted UHPLC Q-ToF MS analysis revealed 53 compounds in selected extracts (70% EtOH) independent by applied extraction technique, belonging to phenolic acid, flavone aglycones and derivatives, and diterpenoids. To obtain quantitative differences of some bioactive compounds, all extracts were subjected to RP-HPLC-DAD, showing predominant content of carnosol and carnosic acid in heat-assisted extraction extract (70% EtOH), as well as rosmarinic acid and luteolin-7-<i>O</i>-glucoside in heat-assisted extraction and microwave-assisted extraction extracts independent by used extraction agents. Extracts obtained by microwave-assisted extraction and 70% EtOH showed the highest DPPH inhibition (66&#xa0;µg/ml), confirming improved extraction of thermolabile phenolics using advanced techniques. Antibacterial testing revealed that heat-assisted extraction-derived extracts were most effective against <i>Staphylococcus aureus</i>, with MIC values ranging from 3.13 to 3.53&#xa0;µg/ml. Molecular docking simulations, used as an advanced <i>in silico </i>tool, identified strong interactions between diosmin and the LsrB quorum-sensing protein, supporting a possible mechanism of antibacterial action. This observation was further supported by antimicrobial results obtained for the diosmin standard, which showed strong antibacterial activity against all tested bacterial strains. These findings demonstrate that modern extraction methods, such as microwave-assisted extraction, improve recovery of bioactive compounds from herbal waste and enhance the functional potential of obtained extracts, offering new perspectives for their valorization through green and efficient processing technologies.</p> Graphical Abstract <p></p>

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Unveiling the Sustainable Recovery of Bioactive Compounds from Sage (Salvia officinalis) By-products: Integrated Chemical and Biological Profiling with Molecular Docking Approaches

  • 期刊论文

  • 发表日期：

    2026年7月20日

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  • Petar Batinić,
  • Natalija Čutović,
  • Ana Žugić,
  • Vanja Tadić,
  • Tatjana Stević,
  • Ilija Cvijetić,
  • Mirjana B. Pešić,
  • Danijel D. Milinčić,
  • Aleksandar Krstić,
  • Tatjana Marković

摘要

This study provides a comparative evaluation of the chemical composition and biological activity of waste sage (Salvia officinalis L., Lamiaceae) extracts obtained using three extraction techniques: maceration, heat-assisted extraction, and microwave-assisted extraction, combined with three ethanol concentrations (30, 50, and 70%). The primary aim was to investigate whether advanced extraction methods, such as microwave-assisted extraction, offer superior efficiency in the recovery of bioactive compounds from herbal industrial waste compared to conventional techniques. Extraction yields varied between 14.5 and 56%, depending on the method and solvent polarity. Comprehensive untargeted UHPLC Q-ToF MS analysis revealed 53 compounds in selected extracts (70% EtOH) independent by applied extraction technique, belonging to phenolic acid, flavone aglycones and derivatives, and diterpenoids. To obtain quantitative differences of some bioactive compounds, all extracts were subjected to RP-HPLC-DAD, showing predominant content of carnosol and carnosic acid in heat-assisted extraction extract (70% EtOH), as well as rosmarinic acid and luteolin-7-O-glucoside in heat-assisted extraction and microwave-assisted extraction extracts independent by used extraction agents. Extracts obtained by microwave-assisted extraction and 70% EtOH showed the highest DPPH inhibition (66 µg/ml), confirming improved extraction of thermolabile phenolics using advanced techniques. Antibacterial testing revealed that heat-assisted extraction-derived extracts were most effective against Staphylococcus aureus, with MIC values ranging from 3.13 to 3.53 µg/ml. Molecular docking simulations, used as an advanced in silico tool, identified strong interactions between diosmin and the LsrB quorum-sensing protein, supporting a possible mechanism of antibacterial action. This observation was further supported by antimicrobial results obtained for the diosmin standard, which showed strong antibacterial activity against all tested bacterial strains. These findings demonstrate that modern extraction methods, such as microwave-assisted extraction, improve recovery of bioactive compounds from herbal waste and enhance the functional potential of obtained extracts, offering new perspectives for their valorization through green and efficient processing technologies.

Graphical Abstract