New histone deacetylase inhibitors from the twigs of Melanorrhoea usitata

AbstractTwo new compounds, melanorrone (1) and melanorric acid (2), as well as 19 known compounds were isolated and identified from the twigs ofMelanorrhoea usitata. Their structures were determined by spectroscopic methods (IR,1H-NMR,13C-NMR, 2D-NMR, MS, and ECD). The histone deacetylase (HDAC) inhibitory activities of the obtained compounds were evaluated. Melanorrone (1) along with five known compounds acted as good HDAC inhibitors at 100  μM. Molecular docking experiments of these compounds with representatives of class I (HDAC2 and HDAC8) and class II (HDAC4 and HDAC7) HDAC isoforms displayed potential isoform-selective HDAC inhibitors. Molecular docking data showed consistent results to the in vitro experiments with the high se lectivity towards HDAC4 and HDAC8.

Source: Medicinal Chemistry Research - June 23, 2018 Category: Chemistry Source Type: research