Table 6 Docking of COX-2 and Olmesartan medoxomil
Sl No | Type of amino acid | Full name | Hydrophobicity | PKa | Avg. isotopic displacement |
|---|---|---|---|---|---|
1 | Histidine | A:His43 | − 3.2 | 6 | 94.488 |
2 | Glutamine | A:Gln44 | − 3.5 | 86.792 | |
3 | Glycine | A:Gly51 | − 0.4 | 93.47 | |
4 | Leucine | A:Leu52 | 3.8 | 95.75 | |
5 | Aspartic acid | A:Asp53 | − 3.5 | 3.9 | 90.929 |
6 | Threonine | A:Thr60 | − 0.7 | 88.487 | |
7 | Arginine | A:Arg61 | − 4.5 | 12 | 87.718 |
8 | Proline | A:Prp67 | − 1.6 | 89.393 | |
9 | Asparagine | A:Asn68 | − 3.5 | 98.224 |