ArticleScientific reports2026
GC-MS profiling and antivirulence potential of limonene-rich Citrus medica cv. 'Rugosa' essential oil: in vitro and in silico evaluations.
Article in Scientific reports, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Antimicrobial therapy is a primary approach for treating microbial infections, yet increasing antibiotic resistance continues to hinder effective disease management, highlighting natural products as promising alternative sources of novel anti-infective agents. In this context, Citrus medica cv. ‘rugosa’ EO was chemically profiled by GC-MS, and its antimicrobial, antibiofilm, and anti-quorum sensing inhibitory action was firstly tested using both in vitro and computational studies. C. medica cv ‘‘rugosa ‘’ EO revealed a predominance of monoterpene hydrocarbons (79.12%) with limonene (76.15%) as the major component, along with minor compounds such as limonene oxide (3.32%), trans-carvyl acetate (1.93%), nerol (1.75%), cis-carveol (1.37%), myrcene (1.31%), carvacrol (1.14%), and β-bisabolene (1.10%). The EO exhibited potent broad-spectrum antimicrobial activity, with inhibition zones up to 30.00 ± 1.73 mm, surpassing limonene (6.00–25.00 mm) and ampicillin (6.00–8.67 mm), and antifungal effects (12.33–14.33 mm) comparable to amphotericin B (11.67–15.33 mm). MICs values ranged from 0.097–1.562 mg/mL with MBC/MFC ratios mostly 2–8, indicating strong bactericidal and fungicidal activity. The EO also demonstrated dose-dependent antibiofilm inhibition (B. subtilis 84.57%; P. aeruginosa 43.19%), quorum-sensing suppression in C. violaceum (100% at MIC; 62.70% at MIC/2; 34.78% at MIC/4) and reduced swarming motility (77.17–46.74%), highlighting its anti-virulence potential. Computational analyses of C. medica cv. ‘rugosa’ EO phytocompounds, particularly valencene (− 9.3 kcal/mol) and aromadendrene (− 8.3 kcal/mol), showed strong binding affinities and stable 200 ns MD interactions, along with favorable ADMET profiles, confirming their drug-like potential. These results indicate that phytochemicals from these medicinal plants possess promising anti-infective and anti-virulence properties and merit further investigation for therapeutic applications.
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