Studies on inhibition mechanism of transcription factor NF-κB and DNA binding by chelator pyrogallol red on the basis of its interaction with metal ions

The interaction of pyrogallol red (PR) an inhibitor of NF-κB-DNA binding with zinc was studied by isolating the zinc-PR complex. The complex was characterized using IR, UV-visible, 1H NMR, and thermal studies. Binding sites of PR were identified by molecular modeling using MM+ and PM3 methods and by generating molecular electrostatic map. These studies have confirmed the role of metal ion chelation in the inhibition of NF-κB-DNA binding.