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GC/MS Profiling, Antibacterial, Anti-Quorum Sensing, and Antibiofilm Properties of Anethum graveolens L. Essential Oil: Molecular Docking Study and In-Silico ADME Profiling

202341 citationsOpen accessUniversity of Tunis El Manar

In plain language

Essential oil extracted from the aerial parts of Anethum graveolens, commonly known as dill, contains twelve major chemical constituents, dominated by limonene and carvone. Laboratory evaluations showed that the essential oil is active against eight different bacterial strains. Further testing demonstrated notable anti-biofilm properties, where limonene alone proved more effective at sub-inhibitory levels than the whole oil, and anti-swarming activity against Pseudomonas aeruginosa PAO1, where the full essential oil proved more potent than limonene alone. Computational analyses, including molecular docking and pharmacokinetic profiling, revealed strong binding interactions with key target enzymes associated with antibacterial action and quorum sensing inhibition, alongside favourable drug-like profiles for the identified molecules. These findings suggest the oil could serve as a natural agent against foodborne pathogens.

Key takeaways

  • The essential oil of Anethum graveolens is primarily composed of limonene and carvone, accounting for the vast majority of its profile.
  • The oil demonstrated antibacterial activity against eight tested bacterial strains.
  • Limonene showed higher antibiofilm activity than the whole oil at sub-inhibitory concentrations, while the whole oil was more effective at inhibiting swarming in Pseudomonas aeruginosa PAO1.
  • Molecular docking and computational profiling confirmed strong enzyme binding related to antibacterial and anti-quorum sensing mechanisms, alongside favourable drug-like properties.

Why it matters

Bacterial contamination in food systems poses persistent health risks, and microbes often develop protective biofilms that make them harder to treat. Identifying natural plant oils that can disrupt bacterial growth, communication, and biofilm formation provides sustainable options for controlling harmful bacteria and improving food safety without relying solely on conventional synthetic chemical treatments.

Commercialisation angle

The findings suggest potential applications in food preservation to prevent contamination by foodborne pathogenic bacteria, which may interest food manufacturers and natural preservative developers. However, the work relies on laboratory assays and computer simulations, placing it at an early stage of research before any commercial formulation or deployment can occur.

AI-generated from the published abstract. Always read the original work before citing.

Abstract

Anethum graveolens L. has been known as an aromatic, medicinal, and culinary herb since ancient times. The main purpose of this study was to determine the chemical composition, antibacterial, antibiofilm, and anti-quorum sensing activities of the essential oil (EO) obtained by hydro-distillation of the aerial parts. Twelve components were identified, representing 92.55% of the analyzed essential oil. Limonene (48.05%), carvone (37.94%), cis-dihydrocarvone (3.5%), and trans-carvone (1.07%) were the main identified constituents. Results showed that the obtained EO was effective against eight bacterial strains at different degrees. Concerning the antibiofilm activity, limonene was more effective against biofilm formation than the essential oil when tested using sub-inhibitory concentrations. The results of anti-swarming activity tested against P. aeruginosa PAO1 revealed that A. graveolens induced more potent inhibitory effects in the swarming behavior of the PAO1 strain when compared to limonene, with a percentage reaching 33.33% at a concentration of 100 µg/mL. The ADME profiling of the identified phytocompounds confirms their important pharmacokinetic and drug-like properties. The in-silico study using molecular docking approaches reveals a high binding score between the identified compounds and known target enzymes involved in antibacterial and anti-quorum sensing (QS) activities. Overall, the obtained results highlight the possible use of A. graveolens EO to prevent food contamination with foodborne pathogenic bacteria.

Research topics

  • Essential Oils and Antimicrobial Activity
  • Psidium guajava Extracts and Applications
  • Phytochemistry and Biological Activities

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DOI: 10.3390/plants12101997

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