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

Recent studies have shown that the zinc influences the DNA binding of transcription factor NF-kappaB. So the zinc-interaction of pyrogallol red (PR) an inhibitor of NF-kappaB-DNA binding 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 investigated 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-kappaB-DNA binding by PR.