Figures & data
Figure 1. Drugs used clinically as anti-T. cruzi agents.
Figure 2. Synthesis of NFOH. (1) Nitrofurazone (NF) and (2) hydroxymethylnitrofurazone (NFOH).
Figure 3. Curves of velocity of substrate consumption as a function of inhibitor concentration. The dotted and straight lines correspond to the fitted model for tight-binding inhibition to the NF and NFOH data, respectively.
Figure 4. Minimal energy conformers (gas phase) of NF (left) and NFOH (right) calculated by the AM1 method represented in the (A) tube model and corresponding electronic surfaces: (B) MEPs (discrete distribution on level 7) in the range of −65 (intense red) to 30 (intense blue) kcal/mol (0.002 e/au3); (C) LUMO orbitalar distribution (0.032 eV); (D) LUMO maps (discrete distribution on level 7) (0.000 (red) to 0.012 (blue) kcal/mol). Atom color code: C (gray), O (red), N (blue), and H (white).
