Pentacyclic triterpenoids from spikes of Prunella vulgaris L. with thyroid tumour cell cytostatic bioactivities.

Five new triterpenoids, including four ursane types (-) and one oleanane type (), together with 15 known ursane types pentacyclic triterpenoids (-) were isolated from the fruit spikes of 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 (-. The results indicated that (-, ( and ( exhibited apparent inhibitory activity with IC values of 25.73-71.41 μM (cisplatin as positive control, IC 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.