Design, Synthesis, Anticancer Evaluation, and EGFR‐Targeted Molecular Docking of Novel 4‐(benzylidenehydrazone)‐3‐nitropyridine Derivatives

= 3.712 µM). Molecular docking studies against wild-type and mutant EGFR structures (PDB IDs: 5D41, 6LUD, and 4I23) revealed strong binding affinities for key compounds, particularly MVK8-11, which showed consistent interactions across all EGFR variants with binding energies up to -7.401 kcal/mol. ADME predictions indicated that most compounds complied with Lipinski's Rule of Five and Jorgensen's Rule of Three, suggesting favorable oral bioavailability, permeability, and drug-likeness, except MVK8-12, which displayed poor pharmacokinetic properties.