Table 3.
Ligand binding interactions of best docked compounds with selected receptors.
| Proteins | Ligands | Hydrogen bond interactions |
Hydrophobic interactions |
||
|---|---|---|---|---|---|
| Amino acid residue | Distance (Å) | Amino acid residue | Distance (Å) | ||
| 3ERT | Fisetin | Thr-347 | 3.41 | Leu-346 | 5.58 |
| Glu-353 | 4.69 | ||||
| Arg-394 | 6.74 | ||||
| 4COF | Fisetin | Tyr-157 | 3.01 | Tyr-62 | 4.63 |
| Asn-41 | 5.10 | 5.06 | |||
| Thr-176 | 3.41 | ||||
| Asp-43 | 3.94 | ||||
| 4UUJ | Quercetin | Arg-89 | 5.05 | Pro-83 | 5.24 6.36 5.02 4.06 |
| Thr-72 | 3.17 | Ala-92 | |||
| 2.84 | Arg-89 | ||||
| 4GQR | Fisetin | Tyr-62 | 4.39 | Tyr-62 | 4.83 |
| Asp-197 | 4.09 | Trp-59 | 5.14 | ||
| Gln-63 | 4.75 | 3.96 | |||
| 1A5H | Cynaroside | Asp-189 | 4.09 | Cys-191 | 4.66 |
| Gly-219 | 3.59 | Trp-215 | 6.53 | ||
| Asp-96 | 4.79 | His-57 | 7.46 | ||
| Tyr-99 | 6.51 | ||||
| Gly-216 | 3.91 | ||||
| 3.67 | |||||