Synthesis, characterization, potentiometric and thermodynamic studies of transition metal complexes with 1-benzotriazol-1-yl-1-[(<b> <i>p</i> </b>-methoxyphenyl) hydrazono]propan-2-one

El‐Dissouky, Ali; Shuaib, Nadia M.; Al‐Awadi, Nouria A.; Abbas, Alaa B.; El-Sherif, Ahmeda

doi:10.1080/00958970701365492

Cited by 13 publications

(6 citation statements)

References 37 publications

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“…In a DMPTHP system of both complexes, metal-azomethine and metal-S bond formation leads to an increase for the distances N(6)-C (7), N(3)-C(2), and N(4)-C(1) (Table 1) when compared with free DMPTHP structure.…”

Section: Molecular Modelingmentioning

confidence: 99%

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Synthesis and Biological Evaluation of Novel Zn(II) and Cd(II) Schiff Base Complexes as Antimicrobial, Antifungal, and Antioxidant Agents

Al-Jahdali

El‐Sherif

2020

Bioinorganic Chemistry and Applications

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(E)-N,N-Dimethyl-2-((E-1-(2-(p-tolyl)hydrazono)propan-2-ylidene)hydrazine-1-carbothioamide (DMPTHP) and their Zn(II) and Cd(II) complexes have been synthesized and characterized. Different tools of analysis such as elemental analyses, IR, mass spectra, and 1H-NMR measurements were used to elucidate the structure of the synthesized compounds. According to these spectral results, the DMPTHP ligand behaved as a mononegatively charged tridentate anion. Modeling and docking studies were investigated and discussed. Novel Schiff base (DMPTHP) ligand protonation constants and their formation constants with Cd(II) and Zn(II) ions were measured in 50% DMSO solution at 15°C, 25°C, and 35°C at I = 0.1 mol·dm−3 NaNO3. The solution speciation of different species was measured in accordance with pH. Calculation and discussion of the thermodynamic parameters were achieved. Both log K1 and –ΔH1, for M(II)-thiosemicarbazone complexes were found to be somewhat larger than log K2 and –ΔH2, demonstrating a shift in the dentate character of DMPTHP from tridentate in 1 : 1 chelates to bidentate in 1 : 2; M : L chelates and steric hindrance were generated by addition of the 2nd molecule. The compounds prepared have significant activity as antioxidants, similar to ascorbic acid. It is hoped that the results will be beneficial to antimicrobial agent chemistry. The formed compounds acted as a potent antibacterial agent. Molecular docking studies were investigated and have proved that DMPTHP as antibacterial agents act on highly resistant strains of E. coli and also as an anticancer agent.

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Section: Molecular Modelingmentioning

confidence: 99%

“…Schiff bases and their complexes in medicinal chemistry are an essential class of compounds [1,2]. Schiff bases play a crucial role in coordination chemistry, since they form stable metal complexes [3][4][5][6][7][8][9][10][11][12].…”

Section: Introductionmentioning

confidence: 99%

Synthesis and Biological Evaluation of Novel Zn(II) and Cd(II) Schiff Base Complexes as Antimicrobial, Antifungal, and Antioxidant Agents

Al-Jahdali

El‐Sherif

2020

Bioinorganic Chemistry and Applications

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“…[8,9] In complexation reactions, transition metals are predominantly favored compared to other metals as they can adopt a wide range of coordination numbers and oxidation states. [10][11][12] Metal complexes of azo-dyes show biological applications and can be used as therapeutic agents as well as increasing the dying properties of azo-dyes. [2,13] Zinc is a fully occupied d-orbital metal which has a vital role as an essential trace element in the human body.…”

Section: Introductionmentioning

confidence: 99%

Zinc(II)‐facilitated nucleophilic addition on N‐(4‐chlorophenyl) carbon hydrazonoyl dicyanide and hybrid complex formation: X‐ray, spectral characteristics, DFT, molecular docking, and biological studies

Elbadawy

El‐Dissouky

Elkashef

et al. 2022

Applied Organom Chemis

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The isolated crystalline, N-(4-chlorophenyl) carbonohydrazonoyl dicyanide, NCCD, showed a unique behavior in the presence of zinc ions, ethanol, and H 2 O. The product was proved to be a two-unit complex consisting of coordinated zinc(II) complex part, bis-. Such behavior may be attributed to the activity of nitrile groups in NCCD and the zinc(II) catalytic power in aqueous media. The structures of the products were confirmed by elemental analysis and single-crystal X-ray analysis. The spectral properties were analyzed by studying FTIR, UV-Visible, 1 H NMR, 13 C NMR, and XPS. Moreover, computational calculations including DFT were applied to the synthesized compounds to estimate their optimized structure and deduce some quantum parameters. The FTIR, UV-Visible, and NMR data were compared with the calculated results, showing a good agreement. Molecular docking was applied to study the interaction of NCCD and GNB-selected protein targets for Escherichia coli (ID: 5I39) and Proteus vagaries (ID: 6QF6). The isolated compounds were investigated as antibacterial, antioxidant, and anticancer agents showing variable activities.The NCCD showed a higher impact as an antimicrobial and anticancer agent, whereas the zinc complex showed better antioxidant behavior using DPPH radical scavenging activity test.

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“…In continuation of our research program [18][19][20][21][22][23][24][25][26][27][28] focused on synthesis of medicinally potent new chemical entities and their biological screening, the present study is aimed to study synthesis, characterization, molecular modeling and (SAR) and biological evaluation of various pyridones.…”

Section: Introductionmentioning

confidence: 99%

Synthesis, biological evaluation and molecular modeling of novel series of pyridine derivatives as anticancer, anti-inflammatory and analgesic agents

Helal

Awdan²,

Salem

et al. 2015

Spectrochimica Acta Part A: Molecular and Biomolecular Spectros

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Synthesis, characterization, potentiometric and thermodynamic studies of transition metal complexes with 1-benzotriazol-1-yl-1-[( p -methoxyphenyl) hydrazono]propan-2-one

Cited by 13 publications

References 37 publications

Synthesis and Biological Evaluation of Novel Zn(II) and Cd(II) Schiff Base Complexes as Antimicrobial, Antifungal, and Antioxidant Agents

Synthesis and Biological Evaluation of Novel Zn(II) and Cd(II) Schiff Base Complexes as Antimicrobial, Antifungal, and Antioxidant Agents

Zinc(II)‐facilitated nucleophilic addition on N‐(4‐chlorophenyl) carbon hydrazonoyl dicyanide and hybrid complex formation: X‐ray, spectral characteristics, DFT, molecular docking, and biological studies

Synthesis, biological evaluation and molecular modeling of novel series of pyridine derivatives as anticancer, anti-inflammatory and analgesic agents

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