Table 2.
List of amino acids showing positive and negative correlation with the biological activities of the inhibitors.
| Amino Acid | Celecoxib |
Polmacoxib |
Valdecoxib |
Celecoxib-analog |
SC-558 |
SC-58125 |
Rofecoxib |
DUP-697 |
Correlation |
|---|---|---|---|---|---|---|---|---|---|
| 7.4 | 8.57 | 8.3 | 8.1 | 8.03 | 7.4 | 6.3 | 8 | ||
| GLN178 | -2.78 | -4.06 | -4.34 | -1.25 | -7.09 | 0.69 | 1.15 | -0.02 | -0.62 |
| SER339 | -4.41 | -5.66 | -8.08 | -8.51 | -6.03 | -4.81 | -3.91 | -4.29 | -0.61 |
| TYR341 | -3.47 | -4.47 | -4.03 | -5.72 | -4.41 | -2.10 | -1.93 | -4.67 | -0.79 |
| PHE504 | -10.22 | -12.88 | -13.90 | -15.15 | -13.76 | -13.31 | -13.23 | -13.46 | -0.28 |
| ARG499 | -7.01 | -6.97 | -2.82 | -13.00 | -7.58 | -1.95 | -3.32 | -1.21 | -0.29 |
| VAL509 | -11.56 | -10.76 | -10.93 | -13.66 | -12.10 | -13.54 | -11.63 | -10.50 | 0.20 |
| ALA513 | -5.78 | -4.29 | -4.28 | -6.77 | -5.41 | -6.08 | -3.76 | -6.35 | -0.22 |
| VAL335 | -4.70 | -5.49 | -4.89 | -6.07 | -6.01 | -4.15 | -6.18 | -5.93 | 0.03 |
| LEU338 | -9.22 | -8.10 | -9.80 | -10.33 | -9.11 | -10.90 | -11.86 | -9.46 | 0.80 |
| TYR371 | -2.18 | -1.21 | -2.62 | -4.38 | -4.00 | -3.10 | -5.43 | -3.19 | 0.63 |
| ILE503 | -5.38 | -5.84 | -6.38 | -4.39 | -6.62 | -5.36 | -8.13 | -7.36 | 0.44 |
| SER516 | 1.86 | -8.44 | -5.76 | -0.90 | 1.22 | 2.53 | -9.18 | 0.87 | 0.09 |