Histone Deacetylase Inhibitory Activity of a Biflavone, Agathisflavone from Gluta Usitata Flowers

Abstract

A biflavone, agathisflavone (1) was extracted and purified as a major product from the flower of Gluta usitata. The structure was determined by IR, 1D and 2D NMR spectroscopic data. The histone deacetylase inhibitory activity and antioxidant activity of the compound were evaluated. Agathisflavone (1) acted as good HDAC inhibitor with IC₅₀ values of 67 µM but weak antioxidant activity with IC₅₀ values of 182 µM. Molecular docking experiments of the compound with representatives of class I (HDAC2 and HDAC8) and class II (HDAC4 and HDAC7) HDAC isoforms displayed potential isoform-selective HDAC inhibitor. Molecular docking data showed consistent results to the in vitro experiments with the high selectivity towards HDAC7. The occurrence of this compound in G. usitata is reported here for the first time.