Integrated experimental and <i>In silico</i> evaluation of the antioxidant, antibacterial, antiviral, and antiproliferative activities of <i>Boswellia neglecta</i> S. Moore stem extract and its bioactive constituents

<i>Boswellia neglecta</i> has been traditionally used to treat leukemia, cancer, and skin diseases. In this study, seven compounds (<b>1</b>-<b>7</b>) were isolated from the stem methanol extract and identified for the first time from this species using NMR spectroscopy. GC-MS analysis revealed <b>17</b> compounds, with olean-12-en-3-one (32.59 %), oleic acid (13.79 %), and <i>β</i>-amyrin (10.66 %) as major constituents. Among the isolated compounds <b>7</b> showed the strongest antibacterial activity against <i>Pseudomonas aeruginosa</i> (MIC = 0.23 ± 0.11 mg/mL). Compounds <b>3</b>-<b>7</b> demonstrated promising antioxidant activity (IC₅₀ = 1.29-7.05 μg/mL) compared with ascorbic acid (IC₅₀ = 0.86 μg/mL). The methanol extract also exhibited significant cytotoxicity against MCF-7 breast cancer cells (27.25 % viability at 200 μg/mL) and antiviral activity against influenza A (H1N1) (IC₅₀ = 1.5 μg/mL, SI = 21). Molecular docking revealed that compound <b>7</b> had strong binding affinity against <i>P. aeruginosa</i> DNA gyrase (-10.8 kcal/mol), surpassing ciprofloxacin (-6.9 kcal/mol). Compounds <b>3</b>-<b>7</b> also had stronger affinities (-5.1 to -6.5 kcal/mol) against human peroxiredoxin 5 and (-6.0 to -10.3 kcal/mol) against myeloperoxidase compared to ascorbic acid (-4.7 and -6.0 kcal/mol). These findings highlight the plant's therapeutic potential, warranting further <i>in vivo</i>, preclinical, clinical, and mechanistic investigations.