Table 6.
Docking interpretation of 2OXX with the phytocompounds.
| Compound ID | 2D structure | Docking score (kcal/mol) | Glide energy | Interacting residues |
|---|---|---|---|---|
| 559495 |
|
−7.573 | −40.340 | HB-Hie_160 (2.21 Å), Asp_175 (1.66 Å) SB-Asp_175 (1.66 Å) |
|
| ||||
| 22217550 |
|
−7.462 | −35.992 | HB-Tyr_115 (2.62 Å), Val_45 (2.16 Å) |
|
| ||||
| 106994 |
|
−6.710 | −21.187 | HB-Asp_175 (1.85 Å), Lys_68 (1.95 Å) SB - Lys_68 (4.53 Å) |
|
| ||||
| 550931 |
|
−6.130 | −33.771 | HB-Lys_68 (2.05 Å) |
|
| ||||
| 20393 |
|
−5.960 | −30.555 | HB–Lys_68 (2.60 Å), Asp_175 (2.51 Å) SB-Lys_68 (3.66 Å) |