Structural basis for the potential antitumour activity of DNA-interacting benzo[kl]xanthene lignans

The biological properties and possible pharmacological applications of benzokl]xanthene lignans, rare among natural products and synthetic compounds, are almost unexplored. In the present contribution, the possible interaction of six synthetic benzokl]xanthene lignans and the natural metabolite rufescidride with DNA has been investigated through a combined STD-NMR and molecular docking approach, paralleled by in vitro biological assays on their antiproliferative activity towards two different cancer cell lines: SW 480 and HepG2. Our data suggest that the benzokl]xanthene lignans are suitable lead compounds for the design of DNA selective ligands with potential antitumour properties.