IN-SILICO DESIGN, SYNTHESIS AND CHARACTERIZATION OF NOVEL COUMARIN DERIVATIVES AS EGFR INHIBITORS

In the search for novel anticancer drugs, coumarin derived chalcones were analysed using in-silico tools like chemdraw, chemsketch, molinspiration, CASTp, Argus lab etc. Epidermal growth factor receptor protein is involved in cell signaling pathways that control cell division and survival. Molecular docking studies of test compounds with the EGFR tyrosine kinase domain (PDB ID: 6LUD) protein provided the significant docking scores for each test compound (-8.38163 to -11.2691 kcal/mol). In this study, we synthesized and evaluated a novel anticancer compound using MTT assay which measures cell viability by detecting mitochondrial activity. Compound 3M was synthesized through condensation of 6 -acetyl-7-hydroxy-4-methylcoumarin with aromatic aldehyde. The purity was done by recrystallization and structure of compound 3M were confirmed via IR spectroscopy, which provided detailed information on functional groups and structural features. Results demonstrated that 3M exhibited significant cytotoxicity against MCF-7 cell line indicating its potential as a therapeutic agent with a significant inhibition of cell growth with an LC₅₀ value of 68.1549µg/mL. The compound’s efficacy was assessed using a series of in-vitro assays to determine its cytotoxicity and potential mechanism of action. These findings suggest that 3M is a promising candidate for further development in cancer treatment.