X‐ray crystal of diprotonated tetra‐(2‐pyridyl)pyrazine (H<sub>2</sub>TPPZ), aqua Fe<sup>3+</sup>‐phen crystal and new lanthanide complexes of TPPZ and their biochemical studies

The reaction of ethyl isothiocyanate with Girard's T affords a new hydrazone named 2‐(2‐N,N,N‐trimethyl‐2‐oxoethane‐1‐auminium chloride [EtGT]). Its structure was confirmed by single crystal X‐ray diffraction. Also, the isolations and characterizations of new metal complexes with EtGT were confirmed by elemental analyses, IR, UV‐visible, magnetic measurements, 13C‐NMR, 1H‐NMR, and thermal analyses. IR spectra suggest that the ligand acts as a bidentate coordinating either via the carbonyl oxygen and the nitrogen atom of the hydrazine group or through the sulfur (C=S and/or C‐S) and the NH groups. The computational estimation of EtGT and its complexes were approved with the Gaussian 09 W program in DFT/B3LYP. DPPH and ABTS are two free radical scavenger tests that were utilized in order to evaluate the antioxidant potential of complexes in vitro. Furthermore, the biological effectiveness of the ligand and its complexes against bacteria varieties Gram (+ve) and Gram (−ve) bacteria was in vitro investigated. Also, antifungal action was investigated utilizing inhibition zone diameter. Moreover, the ligand and its complexes also exhibited a broad spectrum of DNA degradation effects, as measured by agarose gel electrophoresis. Cyclic voltammetry of Co2+ with different concentrations was measured experimentally. Molecular docking is exercised to examine the inhibitor characteristics of complexes through binding propensity with CTX‐M‐14 β‐lactamase (Class A).

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Structural variety of Co²⁺, Ni²⁺, Pd²⁺, and Pt⁴⁺ complexes of a hydrazone based on Girard's T: Synthesis, spectroscopic, molecular docking simulation on CTX‐M‐14 β‐lactamase, and theoretical (DFT) studies

Hassan

Mostafa

Smith

et al. 2023

Applied Organom Chemis

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Synthesis, Antimicrobial Evaluation, DFT, and Molecular Docking Studies of Pyrano [4,3‐b] Pyranone and Pyrano[2,3‐b]Pyridinone Systems

Ghaith,

Zoorob,

Hamama

2024

Chemistry & Biodiversity

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SDehydroacetic acid (DHA) was utilized as a fundamental precursor in the synthesis of novel pyrano[4,3‐b]pyran and pyrano[2,3‐b]pyridine systems. Whereas, a new series of fused polyheteronuclear systems was achieved through the reaction of DHA with active methylene compounds such as malononitrile and pyrazolone. Whereas, the treatment of DHA 1 with cyclic ketones involving cyclohexanone and cyclododecanone afforded annulated tricyclic system 6 and spiro hybrid molecule 7. Also, the reaction of DHA 1 with cyanoacetamide derivatives 8 and 11 yielded their corresponding novel pyrano[2,3‐b]pyridine‐6‐carbonitrile frameworks 9 and 12, respectively.Also, in silico predictive theoretical molecular docking studies for bioactive synthesized scaffolds against both HER2 and 6BBP displayed an optimistic result for compounds 2b, 5, 9, and 12 highlighting their expediency as up‐and‐coming candidates for future preclinical trials. Additionally, all compounds were assessed as antibacterial agents against various types of four candidates of bacteria in the presence of ampicillin as a reference. Notably, compounds 6, 7, and 12 showed promising antibacterial potential against Bacillus subtilis with activity indexes (69.6, 91.3, and 82.6%), respectively.

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Dinuclear group 12 metal phosphates bridged by hexadentate 2,3,5,6-tetra(2-pyridyl)-pyrazine and their supramolecular organization

Bhat

Murugavel

2021

Journal of Molecular Structure

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X‐ray crystal of diprotonated tetra‐(2‐pyridyl)pyrazine (H₂TPPZ), aqua Fe³⁺‐phen crystal and new lanthanide complexes of TPPZ and their biochemical studies

Cited by 6 publications

References 34 publications

Structural variety of Co²⁺, Ni²⁺, Pd²⁺, and Pt⁴⁺ complexes of a hydrazone based on Girard's T: Synthesis, spectroscopic, molecular docking simulation on CTX‐M‐14 β‐lactamase, and theoretical (DFT) studies

Structural variety of Co²⁺, Ni²⁺, Pd²⁺, and Pt⁴⁺ complexes of a hydrazone based on Girard's T: Synthesis, spectroscopic, molecular docking simulation on CTX‐M‐14 β‐lactamase, and theoretical (DFT) studies

Synthesis, Antimicrobial Evaluation, DFT, and Molecular Docking Studies of Pyrano [4,3‐b] Pyranone and Pyrano[2,3‐b]Pyridinone Systems

Dinuclear group 12 metal phosphates bridged by hexadentate 2,3,5,6-tetra(2-pyridyl)-pyrazine and their supramolecular organization

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X‐ray crystal of diprotonated tetra‐(2‐pyridyl)pyrazine (H2TPPZ), aqua Fe3+‐phen crystal and new lanthanide complexes of TPPZ and their biochemical studies

Cited by 6 publications

References 34 publications

Structural variety of Co2+, Ni2+, Pd2+, and Pt4+ complexes of a hydrazone based on Girard's T: Synthesis, spectroscopic, molecular docking simulation on CTX‐M‐14 β‐lactamase, and theoretical (DFT) studies

Structural variety of Co2+, Ni2+, Pd2+, and Pt4+ complexes of a hydrazone based on Girard's T: Synthesis, spectroscopic, molecular docking simulation on CTX‐M‐14 β‐lactamase, and theoretical (DFT) studies

Synthesis, Antimicrobial Evaluation, DFT, and Molecular Docking Studies of Pyrano [4,3‐b] Pyranone and Pyrano[2,3‐b]Pyridinone Systems

Dinuclear group 12 metal phosphates bridged by hexadentate 2,3,5,6-tetra(2-pyridyl)-pyrazine and their supramolecular organization

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X‐ray crystal of diprotonated tetra‐(2‐pyridyl)pyrazine (H₂TPPZ), aqua Fe³⁺‐phen crystal and new lanthanide complexes of TPPZ and their biochemical studies

Structural variety of Co²⁺, Ni²⁺, Pd²⁺, and Pt⁴⁺ complexes of a hydrazone based on Girard's T: Synthesis, spectroscopic, molecular docking simulation on CTX‐M‐14 β‐lactamase, and theoretical (DFT) studies

Structural variety of Co²⁺, Ni²⁺, Pd²⁺, and Pt⁴⁺ complexes of a hydrazone based on Girard's T: Synthesis, spectroscopic, molecular docking simulation on CTX‐M‐14 β‐lactamase, and theoretical (DFT) studies