Table 3 Molecular docking of mosapramine with the core target proteins.
Targets | PDB ID | Residue involved in H bonding | Binding energy (kcal/mol) |
|---|---|---|---|
AKT3 | 7NH5 | THR-82, ASP-292, TYR-272 | −12.9 |
EGFR | 8A2D | LYS-745, GLY-721, ARG-841 | −11.5 |
IL6 | 5MJ3 | ARG-57, ARG-167, LYS-164, SER-162, THR-65 | −11 |
INS | 8IPZ | ASN-21 | −7.6 |
MAPK1 | 4QTA | TYR-36, LYS-54 | −11.5 |
MAPK3 | 6GES | ARG-318, ARG-370 | −10.5 |
PIK3R1 | 6PYR | GLN-260, LEU-171, ASP-606, GLN-610 | −10.9 |
