Table 3 The highest binding affinity of the compounds when docked with Salmonella Typhi type I dehydroquinase (4CNO) and gyrase B (6J90).
Compound Source (Fraction) | Ligands | Protein | Binding Affinity | RMSD /UB | RMSD /LB |
|---|---|---|---|---|---|
8 | D-erythro-Pentose, 2-deoxy | Type I dehydroquinase | -3.4 | 0 | 0 |
8 | Phenol, 4-nitroso | Type I dehydroquinase | -2.3 | 0 | 0 |
8 | Benzen-d5-amine | Type I dehydroquinase | -1.9 | 0 | 0 |
3 | Benzene, 1-fluoro-2-(2-methoxyethenyl)-, (Z)- | Type I dehydroquinase | -1.9 | 0 | 0 |
Control | Ciprofloxacin | Type I dehydroquinase | 81.9 | 0 | 0 |
7, 9, 13 and 19 | β-Sitosterol | Gyrase B | -11.2 | 0 | 0 |
1 | 1,8-Dioxacyclohexadecane-2,10-dione, 5,6:12,13-diepoxy-8,16-dimethyl- | Gyrase B | -10.8 | 0 | 0 |
7 | 2 H-Isoquinolin-1-one, 3-(4-acetylphenylamino)- | Gyrase B | -9.4 | 0 | 0 |
7 | Pentacene | Gyrase B | -9.3 | 0 | 0 |
Control | Ciprofloxacin | Gyrase B | -8.6 | 0 | 0 |
