Table 1.
Molecular docking targets of yeast and bacterial strains, PDB ID’s, active site coordinates, and control ligand.
| Classifi-cation | Target | PDB ID | Coordinates |
Control Ligand | |||
|---|---|---|---|---|---|---|---|
| x | Y | z | |||||
| Yeast | Sterol 14-demethlase | 5TZ1 | 67.215 | 67.596 | 3.789 | Fluconazole | |
| Bacteria | 30S Ribosome | G+ve | 5TCU | 157.277 | 220.301 | 199.687 | Gentamicin |
| G-ve | 4V53 | 102.490 | 3.090 | -32.973 | Gentamicin | ||
| Dihydropteroate synthase | G+ve | 1AD4 | 33.106 | 8.125 | 41.463 | H4K6WCP5DQ | |
| G-ve | 5V7A | -17.836 | 7.522 | 103.740 | 8Y7 | ||
| Gyrase B | G+ve | 4URN | -31.684 | 8.021 | -4.598 | Novobiocin | |
| G-ve | 1KZN | 19.150 | 30.393 | 34.745 | Clorobiocin | ||
| Muramyl ligase E (MurE) | G+ve | 4C13 | -23.122 | 2.508 | 9.873 | C05892 | |
| G-ve | 1E8C | 46.162 | 37.112 | 75.288 | DB02314 | ||
| Transpeptidase | G+ve | 5TW8 | 21.390 | -62.210 | 36.200 | Ceftaroline | |
| G-ve | 6NTW | 21.480 | -32.370 | 42.150 | Vimirogant | ||