Nano ‐synthesis, characterization, modeling and molecular docking analysis of Mn (II), Co (II), Cr (III) and Cu (II) complexes with azo pyrazolone ligand as new favorable antimicrobial and antitumor agents

Novel Mn (II), Co (II), Cr (III) and Cu (II) complexes have been synthesized with azopyrazolone ligand, HL. Their structures were assigned depending on the elemental, thermal and spectral analyses, as well as conductivity and magnetic moment measurements. The XRD results uniquely confirmed the crystalline nature and nano ‐sized particles of Cu (II) complex. The tested compounds showed a reasonable antibacterial activity and weak antitumor efficacy. The in vitro results were confirmed by the in silico molecular docking analysis (docking server). Novel nanosized Mn (II), Co (II), Cr (III) and Cu (II) complexes were synthesized with 2 ‐((5‐oxo‐1,3‐diphenyl‐4,5‐dihydro‐1H‐pyrazol‐4‐yl)diazenyl) benzoic acid, HL applying precipitation method. Their structures were characterized based on the elemental and thermal analyses, spectra (FT‐IR, UV–Vis, MS, ESR and XRD), conductivity and magnetic moment measurements . IR spectra offered that HL behaves as monobasic tri‐dentate ligand towards Mn (II), Cr (III) and Cu (II) and monobasic bi‐dentate towards Co (II). The XRD results unambiguously confirmed the crystalline nature and nano‐sized particles of Cu (II) complex while HL and other complexes exhibited amorphous phases. The magnetic moment data, UV–Vis and ESR spectra supported the formation of octahedral geometries for Mn (II), and Cr (III) complexes, whereas Co (II), and Cu (II) complexes showed tetrahedral arrangement. The activation parameters for ...

Source: Applied Organometallic Chemistry - October 18, 2018 Category: Chemistry Authors: Mohamed Gaber, Abdalla M. Khedr, Mohammed A. Mansour, Mohsen Elsharkawy Tags: FULL PAPER Source Type: research