Table 1.
MolDock energies, interaction type, and respective PDB structure residues for COX-1 and COX-2.
| Name |
COX-1 (4O1Z) |
||
|---|---|---|---|
| MolDock Score | Interaction type | Residues | |
| Meloxicam | -88.71 | Steric | Val116, Ala527, Trp387 |
| H-Bond | Ser530 | ||
| RMD86 | -106.93 | Steric | Ala527, 2(Val349), 2(Leu359), 2 (Ile345), Leu534, Met113 |
| Acetaminophen |
-48.67 |
H-Bond |
Ser530 |
|
Name |
COX-2 (4M11) | ||
|
MolDock Score |
Interaction type |
Residues |
|
| Meloxicam | -94.77 | Steric | 2 (Ala527), Trp387, Ser530 |
| RMD86 | -110.84 | Steric | 2 (Val349), Ala527, Ile345, 2 (Leu534) |
| Acetaminophen | -47.38 | H-Bond | None |