Green and efficient one-pot three-component synthesis of novel drug-like furo[2,3-d]pyrimidines as potential active site inhibitors and putative allosteric hotspots modulators of both SARS-CoV-2 MPro and PLPro

Bioorganic Chemistry, Год журнала: 2023, Номер 135, С. 106390 - 106390

Опубликована: Янв. 28, 2023

Язык: Английский

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Practical Three-Component Regioselective Synthesis of Drug-Like 3-Aryl(or heteroaryl)-5,6-dihydrobenzo[h]cinnolines as Potential Non-Covalent Multi-Targeting Inhibitors To Combat Neurodegenerative Diseases

ACS Chemical Neuroscience, Год журнала: 2024, Номер 15(9), С. 1828 - 1881

Опубликована: Апрель 22, 2024

Neurodegenerative diseases (NDs) are one of the prominent health challenges facing contemporary society, and many efforts have been made to overcome (or) control it. In this research paper, we described a practical one-pot two-step three-component reaction between 3,4-dihydronaphthalen-1(2H)-one (1), aryl(or heteroaryl)glyoxal monohydrates (2a–h), hydrazine monohydrate (NH2NH2•H2O) for regioselective preparation some 3-aryl(or heteroaryl)-5,6-dihydrobenzo[h]cinnoline derivatives (3a–h). After synthesis characterization mentioned cinnolines (3a–h), in silico multi-targeting inhibitory properties these heterocyclic scaffolds investigated upon various Homo sapiens-type enzymes, including hMAO-A, hMAO-B, hAChE, hBChE, hBACE-1, hBACE-2, hNQO-1, hNQO-2, hnNOS, hiNOS, hPARP-1, hPARP-2, hLRRK-2(G2019S), hGSK-3β, hp38α MAPK, hJNK-3, hOGA, hNMDA receptor, hnSMase-2, hIDO-1, hCOMT, hLIMK-1, hLIMK-2, hRIPK-1, hUCH-L1, hPARK-7, hDHODH, which confirmed their functions roles neurodegenerative (NDs), based on molecular docking studies, obtained results were compared with wide range approved drugs well-known (with IC50, EC50, etc.) compounds. addition, ADMET prediction analysis was performed examine prospective drug synthesized compounds The from studies ADMET-related data demonstrated that series heteroaryl)-5,6-dihydrobenzo[h]cinnolines especially hit ones, can really be turned into potent core new treatment and/or due having reactionable locations, they able further organic reactions (such as cross-coupling reactions), expansion (for example, using other types monohydrates) makes avenue designing novel efficient purpose.

Язык: Английский

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Immobilized nickel boride nanoparticles on magnetic functionalized multi-walled carbon nanotubes: a new nanocomposite for the efficient one-pot synthesis of 1,4-benzodiazepines

Nanoscale Advances, Год журнала: 2023, Номер 5(17), С. 4499 - 4520

Опубликована: Янв. 1, 2023

In this study, a new magnetic nanocomposite consisting of Ni2B nanoparticles anchored on functionalized multi-walled carbon nanotubes (Fe3O4/f-MWCNT/Ni2B) was synthesized and characterized using various techniques such as FT-IR, XRD, FESEM, SEM-based EDX, elemental mapping, HRTEM, DLS, SAED, XPS, BET, TGA, VSM. The as-prepared successfully employed for the preparation bioactive 1,4-benzodiazepines from three-component reaction o-phenylenediamine (1), dimedone (2), different aldehydes (3), in polyethylene glycol 400 (PEG-400) solvent at 60 °C. obtained results demonstrated that current one-pot protocol offers many advantages, good-to-excellent yields within acceptable times, favorable TONs TOFs, eco-friendliness procedure, easy nanocomposite, mild conditions, broad range products, excellent catalytic activity, green solvent, reusability nanocomposite.

Язык: Английский

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Accelerated synthesis of 1,8-dioxo-octahydroxanthene and 1,8-dioxo-decahydroacridine derivatives using dendritic mesoporous nanosilica functionalized by hexamethylenetetramine: a novel nanocatalyst

RSC Advances, Год журнала: 2024, Номер 14(4), С. 2633 - 2651

Опубликована: Янв. 1, 2024

Synthesis of 1,8-dioxo-octahydroxanthene and 1,8-dioxo-decahydroacridine derivatives using Cu@KCC-1– n Pr–HMTA.

Язык: Английский

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Highly efficient synthesis of isoxazolones and pyrazolones using g-C3N4·OH nanocomposite with their in silico molecular docking, pharmacokinetics and simulation studies

Scientific Reports, Год журнала: 2024, Номер 14(1)

Опубликована: Авг. 18, 2024

An environmentally friendly, versatile multicomponent reaction for synthesizing isoxazol-5-one and pyrazol-3-one derivatives has been developed, utilizing a freshly prepared g-C

Язык: Английский

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Controllable pore size of super-hydrophobic magnetic core-shell nanospheres with dendritic architecture and their pore-dependent performances in oil/water separation

Separation and Purification Technology, Год журнала: 2023, Номер 323, С. 124434 - 124434

Опубликована: Июнь 26, 2023

Язык: Английский

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Fe3O4@SiO2@APTES@MPIB-Mn(II) as an eco-friendly and magnetically recyclable nano catalyst for the green synthesis of various xanthene derivatives

Journal of Molecular Structure, Год журнала: 2023, Номер 1297, С. 137014 - 137014

Опубликована: Ноя. 6, 2023

Язык: Английский

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Ni^II-containing l-glutamic acid cross-linked chitosan anchored on Fe₃O₄/f-MWCNT: a sustainable catalyst for the green reduction and one-pot two-step reductive Schotten–Baumann-type acetylation of nitroarenes

Nanoscale Advances, Год журнала: 2024, Номер 6(15), С. 3961 - 3977

Опубликована: Янв. 1, 2024

In this research, new catalytic applications of the Fe 3 O 4 / f -MWCNT-CS-Glu/Ni II nanocomposite have been introduced for efficient reduction and one-pot two-step reductive Schotten–Baumann-type acetylation nitroarenes in water.

Язык: Английский

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Green synthesis of benzimidazoles via the palladium catalyzed one-pot reductive coupling of nitroarylamines with nitriles

Journal of Molecular Structure, Год журнала: 2025, Номер unknown, С. 141747 - 141747

Опубликована: Фев. 1, 2025

Язык: Английский

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Introduction of CS-(M3SP)2-NH2.HSO4 as a novel heterogeneous acidic chitosan-based catalyst for the synthesis of bis(pyrazolyl)methane and quinazoline-4 (3H)-one derivatives

Journal of Molecular Structure, Год журнала: 2025, Номер unknown, С. 141904 - 141904

Опубликована: Март 1, 2025

Язык: Английский

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