Three (1-3) new diketopiperazine alkaloids, two (4-5) new natural products, together with thirteen (6-18) known alkaloids were isolated from Pinellia ternata (Thunb.) Breit. The structures of these compounds were determined by spectral data, and their absolute configurations were determined by DP4+ analysis and ECD calculation. The activity of all compounds was evaluated by the LPS + ATP-induced BEAS-2B cells model. In the evaluation of anti-inflammatory activity, compounds 1 and 3 showed significant activity against BEAS-2B cells, with EC50 values of 1.95 ± 0.17 and 2.60 ± 0.15 µM. Molecular docking and dynamic simulation analyses indicated that compound 1 may potentially target the TLR4 protein.
Zhang et al. (Wed,) studied this question.