Synthesis, Characterization, Biological Activity, Cytotoxicity (MTT Assay), and Antioxidant Evaluation of a Novel Ligand (BHDPE) and Its Ni(II) Complex

نویسندگان

1 Department of Chemistry, College of Science, University of Al-Qadisiyah, Al-Qadisiyah, Iraq

2 Department of Chemistry, General Directorate of Education Al-Muthanna, Al-Muthanna, Iraq

doi
10.22052/JNS.2026.03.007
چکیده

A novel ligand, (E)-2-(2-(benzo[d]oxazol-2-yl)hydrazono)-1,2-diphenylethan-1-ol (BHDPE), was synthesized via a two-step procedure. In the first step, the intermediate compound (A), 2-hydrazinylbenzo[d]oxazole, was prepared by reacting 2-mercaptobenzoxazole with hydrazine hydrate in an ethanolic medium. In the second step, the BHDPE ligand was obtained by condensation of intermediate (A) with benzoin. The Ni(II) complex was synthesized in a 1:2 metal-to-ligand molar ratio. The Ni(II) complex was determined to possess an octahedral geometry. The structural elucidation of the ligand and its complex was accomplished using FT-IR, ¹H-³C NMR, and UV-Vis spectroscopy, in conjunction with molar conductivity measurements, elemental analysis (CHN), atomic absorption spectroscopy, and magnetic susceptibility studies. The synthesized compounds exhibited significant antibacterial activity against selected bacterial strains and notable antioxidant capacity against free radicals. The BHDPE ligand and    Nickel (II) complex exhibited high toxicity against MCF-7 with high different values between IC50 against infection cells and healthy cells Furthermore, molecular docking studies revealed favorable binding affinity of the synthesized compounds toward the target protein (3FC2). The ligand exhibited a particularly strong binding affinity, indicative of a stable interaction with the active site of the target protein.