Synthesis, Spectroscopic Characterization, Molecular Docking and Biological Activity of Novel Secnidazole Metal Complexes

Abstract

In this study, four new Secnidazole metal complexes have been synthesized through the reaction of Secnidazole drug with AuCl3, PtCl2, PdCl2, AgNO3 salts. The structures of the synthesized complexes were elucidated using elemental analysis, molar conductivity, thermal analysis, IR, 1H-NMR and UV-Vis spectroscopy. The spectroscopic results confirm that Secnidazole drug act as a bidentate ligand, coordinated to the metal ion with N3 of the imidazole ring and oxygen atom of OH group. The antimicrobial data revealed that the complexes possess a better antibacterial activity against most of the selected bacteria species than the free drug. In addition, the cytotoxic data showed that Ag-complex possesses a potent anticancer activity against MCF-7 cell line. The docking data showed that the synthesized complexes displayed a good and effective binding model against breast cancer protein (3hb5) which was confirmed by the low values of binding energy and multiple H-bonds.