Scholarlink

<p>Antimicrobial resistance motivates antibacterial agents with multi-target mechanisms. We evaluated Moroccan rosemary essential oil (ROEO) against four pathogens (<i>Escherichia coli</i>,<i> Citrobacter freundii</i>,<i> Staphylococcus aureus</i>,<i> Enterococcus faecalis</i>) by disk diffusion and broth microdilution. ROEO inhibited all strains (zones 11.3–21.0&#xa0;mm); activity was bactericidal for <i>E. faecalis</i> (MBC/MIC = 2.0) and bacteriostatic for others (MBC/MIC &gt; 4). Bioassay-guided silica chromatography, using <i>E. faecalis</i> as the pre-specified indicator, localised activity to a polar fraction (F8; 18.5% of the oil; 14.0 ± 1.71&#xa0;mm). GC–MS showed F8 was enriched in oxygenated monoterpenes (97.45%): myrtenol, verbenone, p-cymen-8-ol, γ-terpinen-7-al, carvone, β-thujone. Docking (AutoDock Vina) predicted binding of major constituents to essential enzymes (tyrosyl-tRNA synthetase, L-methionine γ-lyase, DNA gyrase B, and NAD⁺-dependent DNA ligase); native-ligand redocking reproduced crystallographic poses (RMSD ≤ 2.0 Å). In silico ADMET supported drug-like properties with high intestinal absorption and class-typical CNS-penetration and skin-sensitisation alerts. ROEO’s antibacterial profile is underpinned by an oxygenated-monoterpene fraction and yields testable hypotheses for enzyme validation, synergy studies, and in vivo efficacy and safety.</p>

错误：搜索内容不能为空，请输入英文关键词
错误：关键词超出字数限制，请精简
高级检索

Experimental and molecular docking analyses of antibacterial activity in moroccan Rosmarinus officinalis essential oil

  • 期刊论文

  • 出版模式：

    开放获取

  • 发表日期：

    2026年2月9日

查看全文
  • Youssef Lahlou,
  • Soukaina Elorchi,
  • Mohamed Dakir,
  • Mohammed Salah,
  • Nirmine Ezzouine,
  • Malika Belfaiza,
  • Kacem Makroum,
  • Abdellah Maissour

摘要

Antimicrobial resistance motivates antibacterial agents with multi-target mechanisms. We evaluated Moroccan rosemary essential oil (ROEO) against four pathogens (Escherichia coli, Citrobacter freundii, Staphylococcus aureus, Enterococcus faecalis) by disk diffusion and broth microdilution. ROEO inhibited all strains (zones 11.3–21.0 mm); activity was bactericidal for E. faecalis (MBC/MIC = 2.0) and bacteriostatic for others (MBC/MIC > 4). Bioassay-guided silica chromatography, using E. faecalis as the pre-specified indicator, localised activity to a polar fraction (F8; 18.5% of the oil; 14.0 ± 1.71 mm). GC–MS showed F8 was enriched in oxygenated monoterpenes (97.45%): myrtenol, verbenone, p-cymen-8-ol, γ-terpinen-7-al, carvone, β-thujone. Docking (AutoDock Vina) predicted binding of major constituents to essential enzymes (tyrosyl-tRNA synthetase, L-methionine γ-lyase, DNA gyrase B, and NAD⁺-dependent DNA ligase); native-ligand redocking reproduced crystallographic poses (RMSD ≤ 2.0 Å). In silico ADMET supported drug-like properties with high intestinal absorption and class-typical CNS-penetration and skin-sensitisation alerts. ROEO’s antibacterial profile is underpinned by an oxygenated-monoterpene fraction and yields testable hypotheses for enzyme validation, synergy studies, and in vivo efficacy and safety.