Synthesis, Characterization and Theoretical Study of Coordination of a New Oxazolidine Ligand Toward Zinc with Evaluation of Biological Properties

In this work, a new oxazolidine-based ligand, 2-(2-(pyridin-2-yl)oxazolidin-3-yl)ethanol (AEPC), and its zinc complex, [Zn(AEPC)Br], were prepared and identified by elemental analysis, molar conductivity, FT-IR and 1H NMR spectroscopies. Based on the DFT calculations, in the structure of the complex, the zinc atom has coordination number four with tetrahedral geometry. Under ultrasonic irradiation and gelatin media, the nano complex of [Zn(AEPC)Br] is prepared. For evaluation of the biological properties of ligand and complex, Docking studies using the GOLD software on the ten human proteins were done and the results revealed that there are hydrogen bonds and short contact interactions between new compounds and studied macromolecules.