Design, synthesis, anti-inflammatory evaluation, and molecular docking studies of novel quinazoline-4(3H)-one-2-carbothioamide derivatives

RSC Advances, Год журнала: 2025, Номер 15(4), С. 2850 - 2861

Опубликована: Янв. 1, 2025

In this study, we reported the design, synthesis, anti-inflammatory evaluation, and molecular docking studies of novel quinazoline-4( 3H )-one-2-carbothioamide derivatives.

Язык: Английский

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Nickel (II) Macrocyclic Complexes: Template Synthesis, Spectroscopic Investigations, Electrochemical Behavior, DFT Studies, and Biological Evaluation

ChemistrySelect, Год журнала: 2025, Номер 10(15)

Опубликована: Апрель 1, 2025

Abstract A novel series of tetraaza nickel (II) macrocyclic complexes was prepared via template condensation involving the ligand 2‐[4‐bromo‐2‐(2‐oxo‐1,2‐diphenyl‐ethylideneamino)‐phenylimino]‐1,2‐diphenyl‐ethanone (ML) and selected diamines, such as 4‐chloro 1,2‐phenylenediamine, 4‐bromo 1,2‐diaminotoluene, 4‐nitro 1,2‐diaminopropane, ethylenediamine, in presence NiCl 2 .6H O. The its resulting were characterized through elemental analysis, molecular weight determination, a range spectral techniques, including IR, electronic spectra, 1 H NMR, mass spectrometry, X‐ray powder diffraction, DFT‐assisted structural characterization. DFT (TDDFT/B3LYP/6–311g(d) method) analysis representative Ni(II) supports plausible structures proposed based on spectroscopic studies. These analyses suggest that each complex adopts six‐coordinated octahedral geometry. Their redox behavior examined detail using cyclic voltammetry (CV). Furthermore, new tested for their antimicrobial, antioxidant, antidiabetic, antituberculosis activities. Antimicrobial tests conducted against E. coli, B. subtilis, A. niger , P. chrysogenum synthesized compounds. antioxidant properties assessed DPPH assay showed [Ni(C 41 29 BrCl N 4 )] exhibited highest activity, with an IC 50 value 89.13 mg/mL. Additionally, antimycobacterial where 40 3 demonstrated significant effectiveness inhibiting growth Mycobacterium tuberculosis .

Язык: Английский

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Unlocking the potential of the thioamide group in drug design and development

Future Medicinal Chemistry, Год журнала: 2024, Номер unknown, С. 1 - 3

Опубликована: Дек. 2, 2024

KEYWORDS: Thioamidesdrug designdrug discoverybioisostereprodrughydrogen sulfide donorchelatormetal complexes

Язык: Английский

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Visible-Light-Driven Multicomponent Reactions for the Versatile Synthesis of Thioamides by Radical Thiocarbamoylation

Chinese Journal of Organic Chemistry, Год журнала: 2024, Номер 44(11), С. 3571 - 3571

Опубликована: Янв. 1, 2024

Язык: Английский

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Calorimetric Determination of the Enthalpy of the Reaction of Formation of a Silver(I) Monocomplex with 1-Methyl-2-Mercaptoimidazole

Russian Journal of Physical Chemistry A, Год журнала: 2024, Номер 98(14), С. 3389 - 3393

Опубликована: Дек. 1, 2024

Язык: Английский

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