Design of Quinazoline Dual Inhibitors Targeting Focal Adhesion Kinase and Polo-like Kinase 1 for Metastatic Cancers: QSAR, Pharmacophore Modelling, and Molecular Docking Approaches.
An integrated computational approach combining QSAR modeling, pharmacophore analysis, ADMET prediction, and molecular docking identified promising quinazoline scaffolds as potential dual FAK-PLK1 inhibitors for the treatment of metastatic cancers, such as breast, colon, and non-small cell lung cancer.