New quinazolone–sulfonate conjugates with an acetohydrazide linker as potential antimicrobial agents: design, synthesis and molecular docking simulations

RSC Advances, Год журнала: 2025, Номер 15(2), С. 1033 - 1048

Опубликована: Янв. 1, 2025

A new series of quinazolinone–alkanesulfonates have been designed and synthesized as antimicrobial agents. Two derivatives exhibited potential MIC activity.

Язык: Английский

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Electrochemical, thermodynamic and computational investigation of the use of an expired drug as a sustainable corrosion inhibitor for copper in 0.5 M H2SO4

Materials Chemistry and Physics, Год журнала: 2024, Номер 323, С. 129642 - 129642

Опубликована: Июнь 26, 2024

Язык: Английский

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An Overview of the Structure–Activity Relationship in Novel Antimicrobial Thiazoles Clubbed with Various Heterocycles (2017–2023)

Pharmaceutics, Год журнала: 2024, Номер 16(1), С. 89 - 89

Опубликована: Янв. 9, 2024

Antimicrobial resistance is an increasing problem for global public health. One of the strategies to combat this issue synthesis novel antimicrobials through rational drug design based on extensive structure–activity relationship studies. The thiazole nucleus a prominent feature in structure many authorized antimicrobials, being clubbed with different heterocycles. purpose review study antimicrobial thiazoles various heterocycles, as reported literature between 2017 and 2023, order offer overview last years terms research provide helpful instrument future field.

Язык: Английский

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Elucidating the role of novel halogenated hydroquinazolinone derivatives in mitigating copper corrosion in saline conditions: A joint assessment of experimental outcomes and computational analysis

Journal of Molecular Liquids, Год журнала: 2023, Номер 390, С. 122966 - 122966

Опубликована: Авг. 30, 2023

Язык: Английский

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How Can Deep Eutectic Systems Promote Greener Processes in Medicinal Chemistry and Drug Discovery?

Pharmaceuticals, Год журнала: 2024, Номер 17(2), С. 221 - 221

Опубликована: Фев. 7, 2024

Chemists in the medicinal chemistry field are constantly searching for alternatives towards more sustainable and eco-friendly processes design synthesis of drug candidates. The pharmaceutical industry is one most polluting industries, having a high E-factor, which driving adoption not only new candidates, but also production well-established active ingredients. Deep eutectic systems (DESs) have emerged as greener alternative to ionic liquids, their potential substitute traditional organic solvents discovery has raised interest among scientists. With use DESs solvents, become attractive terms eco-friendliness recyclability. Furthermore, they might be effective through making process simpler, faster, with maximum efficiency. This review will focused on role application deep discovery, using biocatalytic chemical reactions, environmentally benign solvents. herein we show that DESs, if used industry, may significant effect lowering costs decreasing impact this quality environment.

Язык: Английский

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Design and synthesis of quinazolin-4-one derivatives as potential anticancer agents and investigation of their interaction with RecQ helicases

Bioorganic Chemistry, Год журнала: 2024, Номер 144, С. 107086 - 107086

Опубликована: Янв. 4, 2024

Язык: Английский

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Vanadium-Silsesquioxane Nanocages as Heterogeneous Catalysts for Synthesis of Quinazolinones

Inorganic Chemistry, Год журнала: 2024, Номер 63(28), С. 13022 - 13030

Опубликована: Июль 1, 2024

The functionalization of polyoxovanadate clusters is promising but great challenge due to the versatile coordination geometry and oxidation state vanadium. Here, two unprecedented silsesquioxane ligand-protected "fully reduced" were fabricated via a facial solvothermal methodology. initial mixture with different colors morphologies (green plate V14 blue block V6) was successfully separated as pure phases by meticulously controlling assembly conditions. Therein, cluster highest-nuclearity V-silsesquioxane date. Moreover, transformation from dimeric cyclic hexameric V6 also achieved, possible mechanism termed "ligand-condensation-involved dissociation reassembly" proposed explain this intricate conversion process. In addition, robust served heterogeneous catalyst for synthesis important heterocyclic compounds, quinazolinones, starting 2-aminobenzamide aldehydes. exhibits high activity selectivity access quinazolinones under mild conditions, where attributed confinement effect macrocyclic ligand constraining molecular freedom reaction species. stability recyclability well tolerance wide scope aldehyde substrates endow superior performance appreciable potential in catalytic applications.

Язык: Английский

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Photoredox cobalt dual catalysis toward C3-functionalization of quinoxalinones with alkenes and alkynes

Chemical Communications, Год журнала: 2025, Номер unknown

Опубликована: Янв. 1, 2025

A site-selective coupling involving quinoxalin-2-ones with alkenes and alkynes has been developed through synergistic visible-light photoredox cobalt catalysis.

Язык: Английский

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Synthesis, investigation of the crystal structure, DFT and in silico medicinal potential of nicotinonitrile substituted quinazolindione as potential anticancer scaffold

Molecular Physics, Год журнала: 2025, Номер unknown

Опубликована: Янв. 14, 2025

Cancer is now regarded as one of the leading causes death for people worldwide. Here, we have reported synthesis a new dihydroquinazoline derivative namely, 5-acetyl-4-(4-methoxyphenyl)-6-methyl-2-(((4-oxo-3,4-dihydro-quinazolin-2-yl)methyl)thio)nicotinonitrile (4). Its structure was characterised by IR and NMR confirmed XRD analysis. In molecule (4), moiety planar. The acetyl phenyl substituents on pyridine ring are rotated out its plane to minimise steric interactions. crystal, layered formed N—H···O, C—H···O, C—H···N hydrogen bonds π-stacking large gap between highest lowest molecular orbitals indicates high stability. Moreover, synthesised nicotinonitrile-substituted quinazolinone screened medicinal characteristics drug-likeness estimates. synthetic ligand docked with three enzymes, including HER2 (PDB ID: 3WSQ), EGFR 5WB7), extracellular domain Tdp enzyme 6N0D), where binding affinities −8.02, −6.88, −6.67 Kcal/mol, efficiencies −0.24, −0.21, −0.20 Kcal/mol inhibition constants 1.31, 9.07, 12.84 µM against target substrates Tdp1, EGFR, protein were found, respectively. Molecular dynamics simulations validated stability complexes.

Язык: Английский

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New 1,2,3-triazole-quinazolinone skeleton as potential cholinesterase and α-amylase inhibitors: In vitro and in silico studies

Journal of Molecular Liquids, Год журнала: 2025, Номер 424, С. 126986 - 126986

Опубликована: Янв. 22, 2025

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