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GC‐MS Profiling and In Silico Evaluation of Methanolic Syzygium aromaticum Extract Against Urinary Tract Pathogens

Lokesh Elumalai,Ganesh Kumar Anbazhagan,S. Subramaniyan,Manivannan Govindasamy,Gopukumar Sivakumar Thangam

Published 2026 in Chemistry and Biodiversity

ABSTRACT

Urinary tract pathogens continue to pose serious health challenges owing to their increasing resistance and biofilm formation. In the present study, the methanolic crude extract of Syzygium aromaticum (McSA) exhibited concentration‐dependent antibacterial and antibiofilm activities against uropathogens. At 100 µg/mL, P. aeruginosa showed the highest antibacterial susceptibility with a 31 mm inhibition zone, whereas E. coli exhibited greater biofilm inhibition of 80.28% at a 200 µg/mL concentration. Compared with standard gentamicin, the extract exhibited greater inhibitory activity. The synergistic interaction between McSA and eugenol further enhanced antibiofilm efficacy, with a strong combinatorial effect. Quorum sensing‐regulated motility and virulence were suppressed by McSA, as evidenced by the inhibition of swimming, swarming, and the CRA method. McSA exhibited potent DPPH radical scavenging activity, with an antioxidant potential of 79.13% compared with 84.31% for standard ascorbic acid. The anti‐inflammatory efficacy of McSA was 74.83% at 500 µg/mL, whereas it was 81.49% for the standard aspirin in the protein denaturation assay. GC‐MS analysis revealed major bioactive compounds, including eugenol, caryophyllene, and methoxyacetic acid heptadecyl ester, whereas FT‐IR analysis confirmed the presence of functional groups such as hydroxyl, carbonyl, and aromatic rings. ADMET profiling revealed six drug‐like compounds with high gastrointestinal absorption and favorable permeability. Molecular docking revealed that methoxyacetic acid heptadecyl ester had greater binding affinity (−7.56 kcal/mol). This study highlights the synergistic and multitargeted action of McSA, positioning it as a potential natural therapeutic candidate against uropathogens.

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