New quinoline-based BODIPYs as EGFR/VEGFR-2 inhibitors: Molecular docking, DFT and in vitro cytotoxicity on HeLa cells

• Quinoline-based BODIPYs as potential EGFR/VEGFR-2 inhibitors. Lipinski's drug likeness of compounds 1–3 revealed promising physicochemical properties for oral bioavailability. The interaction was examined by molecular docking with binding energies in the order 3˃2˃1. HOMO and LUMO were also calculated using DFT method. vitro anticancer activity 1 3 on HeLa cells evaluated. This paper reports quinoline-based inhibitors their activities against Hela cells. 1-3 predicted revealing that they might exhibit DFT/RCAM-B3LYP method at CC-pVTZ. docking, suggesting all fitted into pocket VEGFR-2 within key residues- Glu885, Cys919 Asp1046. ˃ 2 . results suggested a greater affinity comparison to EGFR. evaluated, significant reduction cell viability compared control.