Synthesis, In vitro Cytotoxicity, Molecular docking of Few Quinazolinone Incorporated Naphthyl Chalcones: As Potential Dual Targeting Anticancer Agents to Treat Lung Cancer and Colorectal Cancer

Abstract

The present study is an effort to explore some low molecular weight chemical entities quinazolinone incorporated naphthyl chalcones for their cytotoxic potential and, that can act smartly by inhibiting the mutated molecular targets EGFR (T790M mutation; PDB Id: 5Y9T), and mutated K-RAS(G12D mutation; PDB Id: 4EPT). The in-vitro cytotoxic studies were done by the MTT assay method. For the lung cancer cell lines (A549), N1-N4 were found as more potent than the reference erlotinib (IC50:44.4μg/ml), and among them, the most potent compound is N3 (IC50:11.29 μg/ml). Against the colorectal cancer cell lines (Caco2), the same compound N3 was found as most potent (IC50:10.79 μg/ml). Molecular docking by autodock-4 revealed that all the title compounds have high affinity for both the molecular targets, as they have high negative binding energies. The inhibition constants obtained in docking studies are in nanomoles, The title compounds can be used as a template for developing more potent, selective and dual targeted drugs to treat lung cancer and colorectal cancer.