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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.
The developed 2D-QSAR model identified a potent compound with the highest predicted biological activity as an EGFR inhibitor for colorectal cancer.
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