Table 5.
The docking binding free energies of the synthesised compounds against EGFRWT and EGFRT790M.
Comp. | Binding free energy (kcal/mol) |
|
---|---|---|
EGFRWT | EGFRT790M | |
5a | −17.54 | −16.01 |
5b | −17.22 | −16.08 |
5c | −18.64 | −17.27 |
5d | −17.41 | −16.27 |
6 | −18.81 | −17.61 |
7a | −15.02 | −12.95 |
5e | −19.84 | −16.11 |
5f | −17.49 | −17.37 |
7b | −12.87 | −12.29 |
8 | −26.27 | −21.08 |
Erlotinib | −23.94 | – |
TAK-285 | – | −21.55 |