FIGURE 4.

Molecular docking of parthenolide and known inhibitors of the NF-κB pathway and HDAC2. Macromolecules have been represented in new cartoon format, while PT was represented in red. The known NF-κB inhibitor triptolide is shown in green using Visual Molecular Dynamics (VMD) software. (A) Docking poses of the IKK pharmacophore (PDB code: 3R2F) in pink color. (B) Docking poses of the pharmacophore of NF-κB DNA complex (PDB code: Ivkx) in brown color. (C) Docking poses of the pharmacophore of IKK nemo (PDB code: 3BRT) in green. (D) Docking poses of the HDAC2 pharmacophore (PDB code: 5IWG) in blue.