Integrative phytochemicals analysis, bioactivity evaluation, and computational docking of Trachyspermum ammi essential oil

Antimicrobial resistance (AMR) is a significant global health challenge, necessitating the exploration of natural alternatives. This study investigates the essential oil of Trachyspermum ammi (L.) sprague (Ajowan), a traditional medicinal seed, as a cost -effective source of antimicrobials to combat multi-drug resistant (MDR) infections. Gas chromatography and gas chromatography-mass spectrometry (GC/GC-MS) analysis of Ajowan seed oil identified thymol as the predominant component (57.1%), alongside o-cymene (19.01%) and c-terpene (15.56%). The purified thymol (10 mg/mL) demonstrated potent, broad-spectrum antimicrobial activity against both Gram-positive bacteria, such as Staphylococcus aureus ( S. aureus ), and Gram-negative bacteria, such as Klebsiella pneumoniae (K. pneumoniae) , Escherichia coli ( E. coli ), including multidrug-resistant strains. The minimum inhibitory concentration (MIC) zones ranged from 33 ± 0.01 to 40 ± 0.03 mm. A comparative assessment revealed significant antimicrobial activity for both the crude Ajowan oil extract and its purified thymol fraction. Furthermore, molecular docking (MD) results indicated that thymol forms substantial binding interactions with key proteins in S. aureus and E. coli , suggesting a robust mechanism of action. This research establishes purified thymol from Ajowan oil as a highly promising natural antibiotic. Its efficacy against MDR pathogens marks a significant milestone in the development of novel therapeutics to address the pressing issue of antimicrobial resistance.