Table 2.
Summary of molecular docking stimulation of nitazoxanide.
| Docked Compound |
Docking Energy (Kcal/mol) |
Drug-Target Interactions |
Interacting Moiety | ||||
|---|---|---|---|---|---|---|---|
| Nitazoxanide | −10.58 | 2 HB with Asn 290 | -C = O (as hydrogen bond acceptor) | ||||
| 5-Flurouracil | −8.31 | 1 HB with Asn 290 | -C = O (as hydrogen bond acceptor) | ||||
| HB: hydrogen bond, mol: mole. | |||||||
| A |
|
B |
|
||||
| C |
|
||||||
A and B: two dimensional ligand-receptor interactions of nitazoxanide and 5-FU, respectively inside the protein pocket while C: Three-dimensional disposition of nitazoxanide with interactive amino acids.