Pentacyclic triterpenoids from spikes of <i>Prunella vulgaris</i> L. with thyroid tumour cell cytostatic bioactivities

Abstract

Five new triterpenoids, including four ursane types (<b>1</b>-<b>4</b>) and one oleanane type (<b>5</b>), together with 15 known ursane types pentacyclic triterpenoids (<b>6</b>-<b>20</b>) were isolated from the fruit spikes of <i>Prunella vulgaris</i> L., a traditional Chinese herbal medicine. Their structures were elucidated based on IR, HR-ESI-MS, and NMR spectroscopic data. The SW579 cell line was used to evaluate anti-thyroid cancer activities of (<b>1</b>-<b>20)</b>. The results indicated that (<b>7</b>-<b>9)</b>, (<b>16),</b> and (<b>19)</b> exhibited apparent inhibitory activity with IC₅₀ values of 25.73-71.41 μM (cisplatin as positive control, IC₅₀ 14.49 ± 0.97 μM). Network pharmacology and molecular docking were also used for the prediction of the synergistic actions and the underlying mechanisms. Accordingly, four potential targets have been characterized.