Chemical Analysis and Biological Activities of <i>Senecio scandens</i> Essential Oil: An Experimental and In Silico Study

values of 18.2-42.8 µg/mL. The stem bark sample further strongly inhibited the bacterium Bacillus cereus ATCC 11778 with the minimum inhibitory concentration (MIC) value of 64 µg/mL. In general, the stem bark essential oil consistently demonstrated stronger potency than the leaf essential oil. Molecular docking studies further supported that germacrene D, trans-cadina-1(6),4-diene, (E)-caryophyllene, and α-humulene exhibited stronger binding affinities with the XO than the reference ligand guanine. These interactions were primarily mediated by hydrophobic contacts with key residues, with germacrene D and trans-cadina-1(6),4-diene emerging as the most potent inhibitors.