Table 3.
Binding energies and amino acid interaction for Met and butyrate on performing molecular docking with respective protein structures.
| Protein | Ligand | Binding energy (kcal/mol) | Amino acid interactions |
|---|---|---|---|
| Nrf-2 | SLLD Met | -6.0 | ILE: 559, VAL: 606, GLY: 367, GLY: 418, VAL: 512, VAL: 465 |
| SLLD butyrate | -3.4 | GLY: 605, ILE: 559, GLY: 367, VAL: 606 | |
| MLSD Met and butyrate | -9.7 | ILE: 559, GLY: 367, GLY: 558, VAL: 463, VAL: 604, LEU: 365, LEU: 557 | |
| HO-1 | SLLD Met | -5.7 | TYR: 286, ILE: 419, SER: 418, GLU: 565, HIS: 620, GLU: 623 |
| SLLD butyrate | -4.7 | ALA: 272, SER: 267, GLN: 268, TYR: 321, THR: 269 | |
| MLSD Met and butyrate | -8.9 | PHE: 699, THR: 188, THR: 703, LYS: 700, HIS: 803, GLU: 402, GLU: 623, LEU: 624, LEU: 625 | |
| GPR109A | SLLD Met | -4.9 | ASN: 321, ASN: 320, ARG: 308, SER: 323, THR: 324, ARG: 311 |
| SLLD butyrate | -3.4 | ILE: 162, ALA: 142, ASN: 65, PHE: 64, TRP: 56 | |
| MLSD Met and butyrate | -9.7 | ILE: 162, ALA: 142, ASN: 65, PHE: 64, TRP: 56, ASN: 321, ASN: 320, ARG: 308, SER: 323, THR: 324, ARG: 311 | |
| SLC5A8 | SLLD Met | -5.1 | GLN: 249, PHE: 458, GLY: 462 |
| SLLD butyrate | -4.7 | GLN: 82, THR: 63 | |
| MLSD Met and butyrate | -8.3 | GLN: 82, THR: 63, VAL: , 281, GLN: 249, GLY: 412, GLY: 242 |