Discovery of novel selective inhibitors for EGFR-T790M/L858R
a b s t r a c t
Through a receptor-based and ligand-based combined virtual screening protocol, 21 novel compounds
covering 15 scaffolds were identified as novel inhibitors for EGFR-T790M/L858R, among which, 12 of
them were identified as selective inhibitors for EGFR-T790M/L858R to wild-type EGFR, and 5 of them
exhibited ‘dual-effective’ to wild-type and mutant EGFR. Meanwhile, their antiproliferative effects
toward EGFR high-expressing human lung cancer cell (A549), epidermoid carcinoma cell (A431), and
the mutant EGFR-dependent cell (NCI-H1975) were also evaluated.