Figure 3.

Representative binding conformation of selected ligands to tel₂₆ G4 extracted from MD trajectories. (A) tel₂₆ G4/Bulbocapnine; (B) tel₂₆ G4/Chelidonine; (C) tel₂₆ G4/Ibogaine; (D) tel₂₆ G4/Rotenone; (E) tel₂₆ G4/Vomicine. The G4 is shown as lines and cartoon. G nucleotides forming G-quartets are shown as green sticks with filled rings. Small molecules are shown as cyan sticks. Metal ions and water molecules have been omitted for the sake of clarity. tel₂₆ G4/ligand polar interactions are highlighted by black dashed lines. The same orientation of each tel₂₆ G4/ligand complex is shown, which was obtained by structural alignment on the G4 phosphate backbone.