A study was conducted to analyze the essential oil ofPulicariamauritanica(PMEO) and investigate its antibacterial and antioxidant properties using in vitro and in-silico methods. The essential oil was extracted using the hydrodistillation technique, and its chemical composition was identified via GC/MS analysis. The chemical composition of oil shows that the major components of PMEO arecarvotanacetone(67.92%) followed by 2,5-dimethoxy-p-cymene (3.62%), eucalyptol (1.76%) and tetrahydrocarvone (1.32%). The antibacterial and antioxidant effects against DPPH free radicals andferric reducingpower were tested using the in vitro microdilution method. The antibacterial activity showed a strong sensitivity againstBacillus subtilisandProteus mirabiliswith an inhibition zone of (22.33 ± 1.78 mm and 19.3 ± 0.68 mm, respectively; the lowest MIC and MBC values were (MIC=MBC=1.56 mg/mL). However, computational studies were carried out using molecular docking studies. The study of the interaction nature between (PMEO) essential oil and tyrosyl-tRNA synthetase fromStaphylococcus aureusaids in understanding the antibacterial properties of essential oil molecules and their mechanism of action. The in-silico toxicity and pharmacokinetics results show that 4-candidate molecules have potential antibacterial drugs andsuggeststhat PMEO could be a source of natural antioxidants and antibacterial agents.