Dual targeting of VEGFR2 and ErbB3 by a novel quinoline derivative E5: Mechanistic insights from DFT, molecular docking and MD simulations.
A novel quinoline derivative, 7-(benzyloxy)-N-(3-chloro-2-fluorophenyl)-6-methoxyquinolin-4-amine (E5), was successfully identified as a potent dual-target inhibitor with favourable dual-target binding potency, highlighting E5 as a promising lead compound that warrants further investigation to address clinical anti-ang...