Table 1.
Docked conformations of mangiferin with the target proteins.
| Proteins | Energy Score (kcal/mol) | No. of Interactions |
H-Bonding Residues |
|---|---|---|---|
| Nrf2 protein | |||
| 1X2R | −5.56 | 3 | HOH228, HOH57, TYR572 (H-pi) |
| MAPK8 (JNK1) protein | |||
| 3ELJ | −7.08 | 5 | HOH510, MET111, HOH545, HOH475 |
| MAPK (p38) proteins | |||
| MAPK11 (p38-beta) | |||
| 3GC9 | −5.56 | 5 | ASP112, HOH574, ASN115, HOH480 |
| MAPK13 (p38-delta) | |||
| 4EYJ | −3.51 | 7 | GLU72, ARG68, HOH511, LEU167, HOH709 (pi-H) |
| 4EYM | −6.46 | 6 | MET107, GLU72, PHE169, HOH557, LEU167 (pi-H) |
| MAPK14 (p38-alpha) | |||
| 1OUY | −5.87 | 4 | ALA111, SER154, LYS53 |
| 1OVE | −5.93 | 7 | HOH1241, HOH1177, HOH1256, MET109, LYS53 |
| 1WBS | −4.64 | 6 | LYS53, HOH2029, HOH2208, GLU71, HOH2205 (pi-H) |