Novel Ti/Al(OH)3 and Fe/Al(OH)3 Nano Catalyzed 4-Acetamidophenyl 3-((Z)-but-2-enoyl)phenylcarbamate Synthesis and its Molecular Docking,Quantum Chemical Studies

A series of novel 4-acetamidophenyl 3-((Z)-but-2-enoyl)phenylcarbamate based chalcone moieties have been synthesized via green chemical Ti/Al(OH)₃ and Fe/Al(OH)₃ nano catalyzed pathway and spectroscopic authentication of these synthesized molecules were interpreted by FT-IR, ¹H-NMR, ¹³C-NMR, Mass and elemental analysis. In-silico molecular docking studies of the compounds exhibited excellent binding energy (??8.06 kcal and ??8.94 kcal) towards the essential requirements of targeted compounds for EGFR receptor bearing quinazoline inhibitor (PDB ID: 1M17(Lapitinib). UV–Vis and fluorescence spectroscopy measurements evidenced that there is a significant effect on the absorption and emission spectra. Cyclic voltammetry (CV) studies reveal that HOMO and LUMO values of the compounds are evidenced that band along with intra molecular charge transfer character (D-π-A). The red shift maxima (500 nm) of the emission spectra in various solvent were increasing with the solvent polarity.

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