Synthesis, Characterization and Molecular Docking Study of Novel Chalcone Derivative as Potential Anticancer Agent

A series of novel chalcone derivatives were synthesized via Claisen–Schmidt condensation and evaluated through spectroscopic characterization and molecular docking studies. The synthesized compounds were characterized using Fourier Transform Infrared Spectroscopy (FT-IR), Proton Nuclear Magnetic Resonance (¹H NMR), and Mass spectroscopy.

Molecular docking analysis was performed to evaluate binding interactions with the Epidermal Growth Factor Receptor (EGFR), a validated anticancer target. The docking results revealed favourable binding affinities ranging from –7.5 to –9.2 kcal/mol, supported by hydrogen bonding and hydrophobic interactions within the active site. The findings suggest that the synthesized chalcone derivatives possess promising anticancer potential and warrant further biological evaluation.

Chalcone, Spectroscopic characterization, Molecular docking, Anticancer activity

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