In Methanolic Solvent Synthesis of New Mn^II, Co^II, Ni^II and Cu^II Schiff Base of Aromatic β Amino Acids: Spectroscopic, Thermal, Molecular Docking and Antimicrobial Studies

Abstract

In this article, four new Schiff base complexes of Mn(II), Co(II), Ni(II) and Cu(II) complexes have been synthesized with two different compositions as [M(L)2Cl2] · nH2O and [M(L)2(H2O)2]Cl2 · nH2O [where L1 = benzoin-o-amino benzoic acid (aromatic β amino acid) and L2 = benzoin bromo-o-amino benzoic acid (aromatic β amino acid); M = MnII, CoII, NiII and CuII; n = 1, 2 and 4]. These Schiff base complexes were discussed by many tool of analyses like elemental analysis, magnetic susceptibility, molar conductance, mass spectra, infrared spectra "IR," proton nuclear magnetic resonance "1H-NMR," electronic spectral and thermogravimetric analysis (TG/DTG). These complexes have an electrolytic nature within range of 78–174 Ω1 cm–1 mol –1 based on conductance measurements. Magnetic moment and electronic spectral results deduced that the geometry of Mn2+, Co2+ and Ni2+ and Cu2+ complexes has an octahedral configuration. The number of coordinated and uncoordinated water molecules for the synthesized complexes were calculated based on the thermal analysis technique. The kinetic thermodynamic data were estimated by using commonly integral equations of Horowitz-Metzger (HM) and Coats-Redfern (CR). In vitro the antimicrobial activity of both free L1 and L2 ligands in comparable with their metal complexes were evaluated. This study was strengthen by molecular docking against three protein receptors, which attributing to selected organisms already used in vitro study.

Development of New Thiazole Complexes as Powerful Catalysts for Synthesis of Pyrazole-4-Carbonitrile Derivatives under Ultrasonic Irradiation Condition Supported by DFT Studies

“…With respect to the MATY ligand, the HOMO level appeared to be focused on the coordinating zone (N20 and N19), while the LUMO level appeared extended over the whole molecule. However, such frontier orbitals appeared focused on the ligand in the MATYCu complex, but concentrated around the Pd and Fe atoms in their complexes …”

“…However, such frontier orbitals appeared focused on the ligand in the MATYCu complex, but concentrated around the Pd and Fe atoms in their complexes. 43 Electrostatic potential maps (MEP) were established (Figure 7) to clarify the electronic distribution over the functional groups. Nucleophilic, electrophilic, and neutrality features could be easily indicate by such maps.…”

Rapidly, highly yielded and green synthesis of dihydrotetrazolo[1,5‐a]pyrimidine derivatives in aqueous media using recoverable Pd (II) thiazole catalyst accelerated by ultrasonic: Computational studies

“…This perfect distribution that covered coordinating functional groups explains flexibility in electron pair donation during coordination. [ 56 ] Electrostatic potential maps (MEP) were also established over cubic contour (Figure 5) to differentiate nucleophilic and electrophilic attack zones beside the neutral one. This differentiation was done chromatically by red, blue, and green colors, respectively.…”

Synthesis, Characterization of New Metal Complexes of Ligand [3-(4-hydroxyphenyl)-2-(3-(4-methoxybenzoyl) thio ureido)propanoicacid] (HMP ) and Study of the Biological Activity

“…Metal-oxygen and metal-nitrogen were confirmed by the presence of the stretching tremor of υ (M-O) and υ (M-N) around (491-516)cm -1 and (418-462)cm -1 respectively (13,14) . Table (2) describe the important bands and assignment for free ligand (HMP) and its complexes . The proton nuclear magnetic resonance spectrum for the ligand (HMP) was carried out using (DMSO) as a solvent and the following peaks were detected, Figure (2)The binary signal at δ (2.17) ppm belonging to (1H,NH amine ) , And the appearance of a single signal at δ (2.50) ppm which is attributed to the solvent( d 6 -DMSO ) , And the emergence of multiple signals at δ (2.73-3.39) ppm due to (2H,CH 2 and (1H,CH) , And the appearance of a single signal at δ (3.93) ppm belonging to (3H, OCH 3 ) as well as the emergence of a single signal at δ (9.71) ppm belonging to (1H, OH phenolic).…”

“…The major role in structure blocks of proteins and intermediates in metabolism is played by amino acids. One of the 20 non-essential amino acids that are used by cells to synthesized proteins is tyrosine (1) , Chelating ligands based on N, O and S donor atoms show the immense extent organic performance (2) . The body The ligand was prepared by two steps :…”