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<p>The misuse of antibiotics has led to the rapid emergence of multidrug-resistant (MDR) bacteria that nessessiate novel therapeutic strategies which decrease virulence rather than applying strong selective pressure. Although resinous exudates of the genus <i>Commiphora</i> are traditionally used for wound healing and treatment of skin infections, the chemical basis has remained largely uncharacterized for several species. This study presents the first comprehensive UHPLC–ESI–MS/MS metabolite profiling of the oleo-gum resin of <i>Commiphora quadricincta</i> Schweinf., annotating 21 metabolites dominated by triterpenoids and flavonoids. Three compounds; magnolioside (3), apigenin 7-O-glucoside (4), and naringenin (8) were isolated and evaluated alongside the crude resin for antibacterial, antibiofilm, and antivirulence properties against clinically relevant MDR pathogens.</p><p>The resin and isolated compounds exhibited moderate antibacterial activity and pronounced antivirulence effects at sub-inhibitory concentrations. Biofilm inhibition in <i>P. aeruginosa</i>, <i>A. baumannii</i>, and <i>K. pneumoniae</i> reached 60%, 75%, 73% (resin); 44%, 66%, 60% (3); 48%, 64%, 55% (4); and 50%, 55%, 58% (8). Swarming motility reductions were 73%, 68%, 66%, and 69% respectively. Efflux pump inhibition, membrane permeabilization, and reduced virulence factor production were also observed: protease inhibition 62%, 55%, 51%, 57%; hemolysin 54%, 52%, 51%, 48%; and pyocyanin 55%, 60%, 61%, 62% for the resin and compounds 3, 4, and 8 respectively.</p><p>Molecular docking against LasR, QscR, RhlR, PqsR, MexB, and AmpC prioritized apigenin 7-O-glucoside and polypodane-type triterpenes based on favorable binding interactions, supported by 100 ns molecular dynamics simulations interpreted as hypothesis-generating rather than mechanistically confirmatory. Overall, <i>C. quadricincta</i> resin suppresses pathogenicity via QS interference, efflux inhibition, and membrane destabilization, supporting its traditional use and suggesting potential as an antivirulence/antibiotic-adjuvant source.</p>

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Multitarget Quorum-Sensing Inhibition by Commiphora quadricincta Oleo-gum Resin: Integrated Metabolomics, Molecular Docking, and Dynamics

  • 期刊论文

  • 发表日期：

    2026年8月1日

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  • Mahmoud A. Elfaky,
  • Khaled A. Mansour,
  • Mona A. AlKhairi,
  • Mohamed A. Farag,
  • Wael A. H. Hegazy,
  • Safaa A. M. Abdel-Karim,
  • Emad A. AlSherif,
  • Hossam M. Abdallah

摘要

The misuse of antibiotics has led to the rapid emergence of multidrug-resistant (MDR) bacteria that nessessiate novel therapeutic strategies which decrease virulence rather than applying strong selective pressure. Although resinous exudates of the genus Commiphora are traditionally used for wound healing and treatment of skin infections, the chemical basis has remained largely uncharacterized for several species. This study presents the first comprehensive UHPLC–ESI–MS/MS metabolite profiling of the oleo-gum resin of Commiphora quadricincta Schweinf., annotating 21 metabolites dominated by triterpenoids and flavonoids. Three compounds; magnolioside (3), apigenin 7-O-glucoside (4), and naringenin (8) were isolated and evaluated alongside the crude resin for antibacterial, antibiofilm, and antivirulence properties against clinically relevant MDR pathogens.

The resin and isolated compounds exhibited moderate antibacterial activity and pronounced antivirulence effects at sub-inhibitory concentrations. Biofilm inhibition in P. aeruginosa, A. baumannii, and K. pneumoniae reached 60%, 75%, 73% (resin); 44%, 66%, 60% (3); 48%, 64%, 55% (4); and 50%, 55%, 58% (8). Swarming motility reductions were 73%, 68%, 66%, and 69% respectively. Efflux pump inhibition, membrane permeabilization, and reduced virulence factor production were also observed: protease inhibition 62%, 55%, 51%, 57%; hemolysin 54%, 52%, 51%, 48%; and pyocyanin 55%, 60%, 61%, 62% for the resin and compounds 3, 4, and 8 respectively.

Molecular docking against LasR, QscR, RhlR, PqsR, MexB, and AmpC prioritized apigenin 7-O-glucoside and polypodane-type triterpenes based on favorable binding interactions, supported by 100 ns molecular dynamics simulations interpreted as hypothesis-generating rather than mechanistically confirmatory. Overall, C. quadricincta resin suppresses pathogenicity via QS interference, efflux inhibition, and membrane destabilization, supporting its traditional use and suggesting potential as an antivirulence/antibiotic-adjuvant source.