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

Area of Science:

• Natural Product Chemistry
• Microbiology
• Pharmacology

Background:

• Urinary tract pathogens (UTPs) present significant health challenges due to rising antibiotic resistance and biofilm formation.
• Developing novel therapeutic strategies against UTPs is crucial.

Purpose of the Study:

• To investigate the antibacterial, antibiofilm, antioxidant, and anti-inflammatory properties of Syzygium aromaticum methanolic crude extract (McSA).
• To identify bioactive compounds and evaluate their therapeutic potential against UTPs.

Main Methods:

• Antibacterial and antibiofilm assays were performed against uropathogens.
• Synergistic effects with eugenol were assessed.
• Quorum sensing inhibition was evaluated.
• Antioxidant (DPPH assay) and anti-inflammatory (protein denaturation assay) activities were measured.
• Phytochemical analysis using GC-MS and FT-IR, ADMET profiling, and molecular docking were conducted.

Main Results:

• McSA demonstrated significant concentration-dependent antibacterial and antibiofilm activities against P. aeruginosa and E. coli, surpassing gentamicin.
• Synergistic effects were observed between McSA and eugenol, enhancing antibiofilm efficacy.
• McSA suppressed quorum sensing-regulated motility and virulence.
• The extract exhibited notable antioxidant (79.13%) and anti-inflammatory (74.83%) activities.
• GC-MS identified eugenol and caryophyllene; molecular docking indicated methoxyacetic acid heptadecyl ester as a potential key compound.

Conclusions:

• McSA exhibits broad-spectrum antimicrobial and anti-virulence properties against uropathogens.
• Its antioxidant and anti-inflammatory effects, coupled with favorable pharmacokinetic profiles, highlight its potential as a multitargeted natural therapeutic agent.