Table 2 Binding interaction of FFA with 1PGG, and 4COX.
Sample code | Binding energy(kcal/mol) | Inhibition constant | Number of hydrogen bonding | Hydrogen bonding amino acid residue |
|---|---|---|---|---|
1PGG | − 9.07 kcal/mol | 226.56 nM | 7 | THR206 (2.78 Å) Conventional hydrogen bonding interaction HIS203 (3.31 Å) Conventional hydrogen bonding interaction TRP387 (2.78 Å) Conventional hydrogen bonding interaction THR206 (2.92 Å) Conventional hydrogen bonding interaction HIS207 (3.12 Å) Conventional hydrogen bonding interaction ASN382 (2.63 Å) Conventional hydrogen bonding interaction PHE210 (3.93 Å) pi-donor hydrogen bonding interaction |
4COX | − 9.16 kcal/mol | 193.46 nM | 2 | TYR355 (2.92 Å) Conventional hydrogen bonding interaction SER353 (3.42 Å) carbon hydrogen bonding interaction |
