Synthesis, characterization and biological assay of Salicylaldehyde Schiff base Cu(II) complexes and their precursors

4‐Triphenylmethyl‐1,2‐benzoquinone (TPMBQ) reacted with some metal ions and the structure of the new compounds had been identified. The metal to ligand ratio was 1:2 which was revealed by elemental analysis. The complexes were found to have octahedral geometry and their thermal stability was studied using thermogravimetric analysis technique. The molar conductance measurements revealed the electrolytic nature of the synthesized chelates. The IR spectra concluded the bidentate nature of the TPMBQ ligand while the 1H NMR revealed the presence of water molecules. The XRD spectra of Mn (II) and Fe (III) complexes concluded their crystalline structure while Co (II) and Cu (II) chelates refer to amorphous structures. The geometries of the TPMBQ ligand were optimized using Gaussian 09 W; density functional theory B3LYP method. (DFT)/basis set 6–311++G (d, p). HOMO and LUMO energy values for chelates, chemical hardness and electro‐negativity had been calculated. The ligand and its metal complexes had been examined against different kinds of bacteria such as Proteus vulgaris, Escherichia coli, Staphylococcus aurous and Bacillus subtitles to examine their antimicrobial activity. Molecular docking using Auto Dock tools were utilized.

Section: Resultsmentioning

confidence: 99%

Structural, spectroscopic, molecular docking, thermal and DFT studies on metal complexes of bidentate orthoquinone ligand

Zayed

El-Samahy

2019

“…While all tested compounds had activities against C. albicans except Cr (III) complex had no activity and Co (II) complex showed significant high activity. These results indicated that the activity does not depend only on the presence of metal ions but also a synergistic effect of many factors such as cell permeation, solubility, dipole moment, conductivity, which were affected by the presence of metal ions …”

Section: Biological Activitiesmentioning

confidence: 89%

Theoretical studies of new Schiff base ligand derived from 1,3‐diaminopropane and 2‐acetyl ferrocene and studying some applications of its metal complexes

Sayed

Mahmoud

Omar

2019

A novel bidentate Schiff base ligand (L) and some d‐transition metal chelates (Cr (III), Mn (II), Fe (III), Co (II), Ni (II), Cu (II), Zn (II) and Cd (II)) were synthesized and characterized using various physicochemical and spectroscopic techniques like elemental analysis, IR, mass, UV–visible and thermal analysis. The spectroscopic data suggested that the parent Schiff base ligand coordinated to the metal ions through both imine nitrogen atoms. The molecular and electronic structure of the free ligand was optimized theoretically, and the quantum chemical parameters were calculated. The molecular structure can be used to investigate the coordination sites and the total charge density around each atom. The free ligand and its complexes were screened for their antimicrobial activities for various pathogenic bacteria and fungi. The anticancer activities of the free ligand, Cr (III), Mn (II) and Fe (III) complexes were screened against MCF‐7 cell line and found that Mn (II) complex has the lowest IC50 (15.90 μg/ml). Molecular docking was used to predict the binding between the free ligand with receptor of mutant human androgen (ARccr) derived from androgen‐independent prostate cancer (1GS4), crystal structure of yeast‐specific serine/threonine protein phosphatase (ppz1) of Candida Albicans (5JPE) and crystal structure of renal tumor suppressor protein, folliculin (3 V42) and to identify the binding mode and the crucial functional groups interacting with the three proteins.

“…Schiff bases can be readily synthesized from the condensation reactions between the primary amine and carbonyl compounds . Ligands and metal complexes containing various substituent groups on the salicylidene rings are extensively studied . Because, these compounds and metal complexes have superior properties and are widely used in many areas.…”

Section: Introductionmentioning

confidence: 99%

Structural characterization of disperse black 9 based Cu (II) complex and investigation of its some properties

Tümer¹,

Köse²,

Akar³

et al. 2019

We obtained the azo‐imine ligand (2,2′‐[4‐(5‐methoxy salicylidene‐4‐iminophenylazo)phenylimino]diethanol) (HL) and its Cu (II) complex (CuL) from the ethanol solution. The complex Cu(L)2 was obtained as single crystals from the CH3OH solution and structurally characterized. The electronic and photoluminescence properties of the ligand and its Cu (II) complex were investigated both in DMF solution and solid state. The oxidation and reduction behaviours of the compounds were studied in the solution and found that the redox processes are irreversible. Thermal studies show that the ligand has higher thermal stability than the CuL complex. Single crystals of the complex were obtained from slow evaporation of a DMF solution of the complex. Crystals of the complex showed a diffraction pattern; however, the structure of the complex was able to be solved.