Table 3.
Hydrogen bond of ligands docked to COX-2
| Ligands | Hydrogen Bond | Bond Distance (Å) |
|---|---|---|
| Monocaproin |
PHE529 LEU531 GLY533 LEU534 |
3.05 2.96 3.06 3.08 |
| Monocaprylin |
TYR385 TYR385 PHE529 LEU531 GLY533 LEU534 |
4.10 4.10 2.71 3.14 3.05 3.38 |
| Monocaprin |
GLN192 ARG513 ILE517 PHE518 |
2.91 3.18 2.95 2.89 |
| Monolaurin |
TYR385 PHE529 LEU531 GLY533 LEU534 |
3.00 2.77 3.22 3.10 3.38 |
| Monomyristin | VAL523 | 3.32 |
| Caproic |
PHE529 LEU531 GLY533 LEU534 |
2.99 2.93 3.07 3.15 |
| Caprylic |
ALA527 LEU531 |
2.89 2.93 |
| Capric |
GLN192 ILE517 PHE518 |
2.93 3.21 2.93 |
| Lauric |
HIS90 GLN192 ILE517 PHE518 |
3.68 2.89 3.29 2.99 |
| Myristic |
GLY526 LEU531 |
2.76 2.76 |
| Reference drug | ||
| Aspirin |
TYR385 GLY526 LEU531 |
2.88 2.83 3.27 |
| Ibuprofen |
LEU531 GLY533 LEU534 |
2.88 2.95 3.37 |
| Paracetamol |
TYR385 MET522 GLY526 |
2.96 2.85 2.92 |
Bold texts indicate strong hydrogen bond (2.5–3.1A)