Synthesis, characterization of a novel molecule containing imine group, investigation of its quantum chemical, molecular docking and ADME properties.

In this study, a novel Schiff base, 2-[(4-dimethylamino-benzylidene)-amino]-3-(4-hydroxy-phenyl)-propionic acid (DMAT) was synthesized as a result of the condensation reaction of N,N-dimethylamino benzaldehyde and L-tyrosine. The structure of the molecule obtained was characterized by H- and C-NMR, FTIR, UV-Vis spectroscopy and elemental analysis. Density functional theory (DFT) was used to calculate the optimized geometry, vibrational wavenumbers and electronic parameters at the B3LYP level using 6-311 G(d,p) basis set.