Transition metal complexes of novel binuclear Schiff base derived from 3,3′-diaminobenzidine: synthesis, characterization, thermal behavior, DFT, antimicrobial and molecular docking studies

Radha, V; Chitra, S.; Jonekirubavathi, Suyambulingam; Chung, Ill‐Min; Kim, Seung Hyun; Prabakaran, Mayakrishnan

doi:10.1080/00958972.2020.1752372

Cited by 42 publications

(6 citation statements)

References 55 publications

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“…This band shifts to a lower wavenumber by 16–22 cm −1 in the spectra of metal complexes, thereby further demonstrating the coordination between the nitrogen atom of the azomethine group and the metal ions. [ 51,52 ] Furthermore, the IR spectrum of ligand proclaim a sharp band at 3293 cm −1 due to ν (O‐H) stretching vibrations, [ 53 ] which disappears in complexes thereby suggesting the involvement of ‐OH in coordination with metal atom via deprotonation. The development of some new bands at 476–445, 540–520, and 410–406 cm −1 were also observed in the spectra of complexes which are due to ν (M‐N), ν (M‐O), and ν (M‐S), respectively.…”

Section: Resultsmentioning

confidence: 99%

Instigating the in vitro antidiabetic activity of new tridentate Schiff base ligand appended M(II) complexes: From synthesis, structural characterization, quantum computational calculations to molecular docking, and molecular dynamics simulation studies

Deswal

Asija

Tufail³

et al. 2023

Applied Organom Chemis

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In search of novel medications that could be effective in preventing and treating diabetes, four new [Co(L)(H 2 O) 3 ] (2), [Ni(L)(H 2 O) 3 ] (3), [Cu(L)(H 2 O)] (4) and [Zn(L)(H 2 O)] (5) complexes were synthesized from 4-Chloro-2-(((3-mercapto-5-[pyridin-4-yl]-4H-1,2,4-triazol-4-yl)imino)methyl)phenol ligand (H 2 L),which is obtained by the condensation of 5-chlorosalicylaldehyde with 4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol in 1:1 ratio. The Fouriertransform infrared spectroscopy (FTIR), nuclear magnetic resonance (NMR)( 1 H and 13 C), elemental analyses, UV-visible, electron spin resonance (ESR), thermogravimetric analysis (TGA), scanning electron microscopy, energy dispersive X-ray analysis (EDAX), and X-ray diffraction (XRD) studies were used to successfully characterize the compounds. The ligand act in a tridentate manner and coordinates to the metal ions through N azomethine , O phenolic and S thiol functionalities. On the premise of their spectral and physico-analytical data; octahedral geometry for complex 2 and 3, while square planar and tetrahedral geometry for complex 4 and 5 was proposed. Theoretical calculations of the synthesized compounds have been performed by using density functional theory (DFT)/B3LYP method and parameters such as HOMO-LUMO energy values and MESP were calculated. In vitro examinations against α-amylase and α-glucosidase reveal promising results for the compounds. Nickel (II) complex(3) against α-amylase and zinc (II) complex (5) against α-glucosidase were found to be good inhibitors. Molecular docking experiments against the receptors 1BSI and 5ZCC were done to support the observation and considerable

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Section: Resultsmentioning

confidence: 99%

Instigating the in vitro antidiabetic activity of new tridentate Schiff base ligand appended M(II) complexes: From synthesis, structural characterization, quantum computational calculations to molecular docking, and molecular dynamics simulation studies

Deswal

Asija

Tufail³

et al. 2023

Applied Organom Chemis

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“…A theoretical tool for molecular modelling as well as the geometrical shape of the hydrazones ligand was created using the Gaussian09 programme. The diazene carbohydrazonothioic acid ligands electronic structure can be determined by looking at the border orbital energy gap between ELUMO and EHOMO [20][21][22][23]. According to illustrations of the free diazene carbohydrazonothioic acid ligands molecular orbital's, the donor atoms-nitrogen of hydrazine, sulphur of HS group, and oxygen of OH group-that are employed to donate to metal ion acceptors were predominantly concentrated on the LUMO, HOMO and charge distribution (Figure 1).…”

Section: Molecular Modelingmentioning

confidence: 99%

N′-((E)-3,3-Diphenyl-2,3-Dihydro-1H-Inden-1-Ylidene)-2-((Z)-2-Oxoindolin-3-Ylidene)Hydrazine-1-Carbothiohydrazide Ligand and Its Complexes: Spectroscopic, Molecular Orbital, Molecular Docking, Structural Study and Antimicrobial Activity

Zayed,

El-Sayed,

Albalawi

et al. 2023

Preprint

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New Schiff base ofN'-((E)-3,3-diphenyl-2,3-dihydro-1H-inden-1-ylidene)-2-((Z)-2-oxoindolin-3-ylidene)hydrazine-1-carbothiohydrazide (HL) and its Co(II),Ni(II), Fe(III), Cu(II), Cd(II), Zn(II) and Mn(II) complexes were created, isolated, and characterized by analytical analysis in good yields of 60 to 90%, UV–Vis, magnetic measurements, molar conductivity, and FT-IR. Additionally, mass spectrometry was used to examine the new ligand complexes' structural characteristics.1H NMR spectroscopy and elemental analysis. Depending on the electronic spectra and magnetic susceptibility measurements, these complexes are predicted to have octahedral molecular geometry. As an example, the quantum chemical properties, bond lengths, and bond angles were discussed. The structural formula for the examined ligand was improved using the Gaussian09 tool. The DFT/B3LYP method was used to calculate the energy gaps and other crucial theoretical features. The prepared hydrazine ligand complexes Co (II), Ni (II), Fe (III), Cu (II), Cd (II), Zn (II) and Mn (II) complexes were evaluated for its antimicrobial properties. As antimicrobial agents, it was found that the organic ligand was less biologically active than the targeted complexes. Gram positive bacteria (3ty7-Staphylococcus), Gram negative bacteria (3t88-Escherichia coli), and fungi (5k04-Candida albicans) all have crystal structures that interact well with the chemicals in the title, according to molecular docking.

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“…3 . Schiff bases are considered as (Imines), (Azomethines) and (Anils) [4][5][6][7][8] . Generally, the Schiff bases derived from the condensation of aldehydes with primary amines, are referred to as (Aldimines), whereas the compounds that derived from the condensation of ketones with primary amines are referred to as (Ketimines).…”

Section: Introductionmentioning

confidence: 99%

Synthesis, Characterization and Bioactivity Evaluation for Some Metal Ions Complexes with New Ligand Derived from 2-hydroxy-1- napthaldehyed

Abd-Alaziz,

Al-Hamdani,

Mahmmoud

et al. 2024

Baghdad Sci.J

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The newly synthesized Schiff base ligand (E)-2-((2-phenylhydrazono)methyl)naphthalen-1-ol (phenyl hydrazine derivative), is allowed to react with each of the next mineral ion: Ni2+, Cu2+, Zn2+andCd2+successfully resulting to obtain new metal complexes with different geometric shape. The formation of Schiff base complexes and also the origin Schiff base is indicated using LC-Mass that manifest the obtained molar mass, FT-IR proved the occurrence of coordination through N of azobenzene and O of OH by observing the shifting in azomethines band and appearing of M-N and N-O bands. Moreover, we can also detect by such apparatus, the presence of aquatic water molecule inside the coordination sphere. UV-Vis spectra of all resultants revealed the creation of coordination by noticing the shifting in electronic transitions that happened in ligand at ultra violet region. TGA and DSC measurements for ligand and Ni-complex also prove the complexation and presence of coordinated water molecule inside the coordination sphere. In addition, molar accessibility and FAA results were closer to the counting results. The diagnoses return gave mononuclear complexes, bidentate dental behavior and tetrahedral geometry for all complexes. Depending on the antibiotic property of Schiff base and its complexes, we have tested such property on various types of microorganisms as detailed in the paper.

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Transition metal complexes of novel binuclear Schiff base derived from 3,3′-diaminobenzidine: synthesis, characterization, thermal behavior, DFT, antimicrobial and molecular docking studies

Cited by 42 publications

References 55 publications

Instigating the in vitro antidiabetic activity of new tridentate Schiff base ligand appended M(II) complexes: From synthesis, structural characterization, quantum computational calculations to molecular docking, and molecular dynamics simulation studies

Instigating the in vitro antidiabetic activity of new tridentate Schiff base ligand appended M(II) complexes: From synthesis, structural characterization, quantum computational calculations to molecular docking, and molecular dynamics simulation studies

N′-((E)-3,3-Diphenyl-2,3-Dihydro-1H-Inden-1-Ylidene)-2-((Z)-2-Oxoindolin-3-Ylidene)Hydrazine-1-Carbothiohydrazide Ligand and Its Complexes: Spectroscopic, Molecular Orbital, Molecular Docking, Structural Study and Antimicrobial Activity

Synthesis, Characterization and Bioactivity Evaluation for Some Metal Ions Complexes with New Ligand Derived from 2-hydroxy-1- napthaldehyed

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