4(3H)-Quinazolinone: A Natural Scaffold for Drug and Agrochemical Discovery

International Journal of Molecular Sciences, Год журнала: 2025, Номер 26(6), С. 2473 - 2473

Опубликована: Март 10, 2025

4(3H)-quinazolinone is a functional scaffold that exists widely both in natural products and synthetic organic compounds. Its drug-like derivatives have been extensively synthesized with interesting biological features including anticancer, anti-inflammatory, antiviral, antimalarial, antibacterial, antifungal, herbicidal, etc. In this review, we highlight the medicinal agrochemical versatility of according to studies published past six years (2019–2024), comprehensively give summary target recognition, structure–activity relationship, mechanism its analogs. The present review expected provide valuable guidance for discovering novel lead compounds containing moiety drug research.

Язык: Английский

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Friedländer reactions for annulated pyrido[2,3-d]pyrimidines: Synthesis, structure characterization, anticancer and computational studies

Tetrahedron, Год журнала: 2025, Номер unknown, С. 134608 - 134608

Опубликована: Март 1, 2025

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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Crystal structure, Hirshfeld surface analysis, molecular modeling, electrochemical properties, and potential medicinal activity of a novel binuclear Co(II) complex

Applied Organometallic Chemistry, Год журнала: 2024, Номер 38(11)

Опубликована: Июль 19, 2024

A quinoxaline‐based ligand, 6,7‐dimethyl‐2,3‐di(2‐pyridyl)quinoxaline (Me 2 dpq), and its unique binuclear Co(II)‐Me dpq complex were prepared analyzed using single crystal X‐ray diffraction several spectroscopy techniques. Hirshfeld surface analyses also used to clarify the Me ligand packing. The crystallized in triclinic P‐1 space group exhibited a distorted trigonal bipyramidal geometry around cobalt(II) ion. Each Co(II) ion coordinated through two N donor centers from pyridyl quinoxaline rings along with terminal Cl bridged atoms. binding properties of CT‐DNA studied by techniques, namely UV–Vis spectroscopy, fluorescence quenching, viscosity measurements, thermal denaturation, gel electrophoresis. interaction tests demonstrated that both parent bind DNA an intercalative way. antioxidant studies novel illustrated significant activity against DPPH • radicals. vitro cytotoxic effect Co(II)‐complex on MCF‐7 Hep‐G2 tumor cell lines was evaluated MTT assay. showed had superior toward tested lines. Molecular docking synthesized compounds employed figure out way they would associate biologically macromolecular target B‐DNA (PDB: 1BNA). Thus, this study is anticipated provide opportunities for successful utilization many medical domains.

Язык: Английский

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Fungicidal Activity of Novel 6-Isothiazol-5-ylpyrimidin-4-amine-Containing Compounds Targeting Complex I Reduced Nicotinamide Adenine Dinucleotide Oxidoreductase

Journal of Agricultural and Food Chemistry, Год журнала: 2024, Номер unknown

Опубликована: Сен. 25, 2024

To discover novel inhibitors of the complex I reduced nicotinamide adenine dinucleotide (NADH) oxidoreductase as fungicides, a series 6-isothiazol-5-ylpyrimidin-4-amine-containing compounds were designed using computer-aided pesticide design method and splicing substructures from diflumetorim isotianil. In vitro fungicidal bioassays indicated that

Язык: Английский

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