Molecular modeling aided design, synthesis and biological evaluation of quinazoline derivatives for the treatment of human cancer.

The quinazoline scaffold serves as a fundamental framework, demonstrating potent anti-tumor activity. Employing the pharmacophore-based scaffold hopping principle, we successfully synthesized a series of FAK/PLK1 inhibitors incorporating the quinazoline scaffold. The synthesized compounds were characterized using H NMR, C NMR, and HRMS techniques.