Inhibitors of Trypanosoma cruzi Sir2 related protein 1 as potential drugs against Chagas disease
Fig 6
TcSir2rp1 structural model and docking with compound 9.
A) The 3.5 Å structural model shows a large Rossmann-fold domain (composed of 6 parallel β-strands, sandwiched between 2 layers of α-helices), and a small zinc binding domain. The substrate acetylated peptide p53 is bound to the cleft between the small and the large domains. B-C) The substrate p53 peptide was removed from the structure and docking studies conducted with compound 9. Several conformations (only 2 shown here) of compound 9 were possible in a putative ligand binding site close to the NAD binding site.
