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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Ni_xB/Mo_0.8B₃ Nanorods Encapsulated by a Boron‐Rich Amorphous Layer for Universal pH Water Splitting at the Ampere Level

Advanced Energy Materials, Год журнала: 2024, Номер unknown

Опубликована: Окт. 4, 2024

Abstract Heterostructured interfaces are crucial to electrocatalysts for water splitting. Herein, coral‐like multiheterostructured Ni x B/Mo 0.8 B 3 (NMB) nanorods encapsulated by a boron‐rich amorphous layer prepared Density‐functional theory (DFT) calculations indicate that the NMB interface adjusts d ‐band center and electronic structure of molybdenum sites. Owing strong coupling between Ni, Mo, at heterojunction, large number exposed catalytic active sites, as well special hydrophilic characteristics endowed surrounding layer, catalyst exhibits remarkable universal‐pH hydrogen evolution reaction (HER) activity with low overpotentials ( η ) 15, 26, 83 mV deliver 10 mA cm −2 in basic, acid, neutral media, respectively, outstanding oxygen (OER) basic medium 500 170 420 mV, respectively. The unique self‐supporting 3D hierarchical interconnected facilitates mass transport thus leading high mechanical stability 450 200 h HER OER ≈1000 . More importantly, excellent performance toward overall‐water electrolysis bifunctional ultralow cell voltages 1.45/1.56/1.85 V @ 10/100/1000 , demonstrating potential industrial splitting applications.

Язык: Английский

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Preparation of nanodiamond anchored on copper tannic acid as a heterogenous catalyst for synthesis of 1,4-benzodiazepines derivatives

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

Опубликована: Апрель 15, 2024

Abstract In this research, a new and eco-friendly heterogeneous catalyst (ND@Tannicacid-Cu) was synthesized based on nanodiamond copper tannic acid via esterification process. The as-prepared characterized by Fourier transforms infrared spectroscopy (FT-IR), energy dispersive X-ray (EDX), scanning electron microscopy (SEM), diffraction (XRD) methods. catalytic efficacy of the intended examined one-step three-component reaction 1,4-benzodiazepine derivatives from mixture ortho-phenylenediamine, aromatic aldehydes, dimedone under mild conditions. all instances, corresponding 2,4-benzodiazepines were with high efficiency, short time, straightforward work up procedure, no requirement for column-chromatography, cost-effective catalyst. easily recycled using fillers, it can be reused eight cycles without significantly diminishing its performance.

Язык: Английский

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Recyclable Hydrazine-Passivated NiB_x/Ni Heterostructured Catalyst for Enhanced Hydrogenation of Polystyrene Pyrolysis Oil

ACS Applied Materials & Interfaces, Год журнала: 2025, Номер unknown

Опубликована: Апрель 3, 2025

Nickel boride (Ni2B) is known to be an excellent catalyst for hydrogenation of olefin structures under mild reaction conditions. Its susceptibility oxidation in air environments, however, limits its practical applications. Here, a hydrazine-passivated nickel boride/nickel (NiBx/Ni) heterostructured developed address the problem while improving conversion efficiency styrene ethylbenzene real polystyrene (PS) pyrolysis oil. The calculated turnover frequency 24.9 mmol/h·g, with 99.9% selectivity, representing 38.3% improvement compared control Ni2B (18.0 mmol/h·g). This outstanding performance attributed increased charge density on both Ni and B, induced by strong hydrazine reductant, which surpasses other amine-structured ligands, such as ethanolamine ethylamine. Additionally, enhanced magnetic properties NiBx/Ni, resulting from Ni(111) nanocrystalline structure along easy axis magnetization, enable facile recovery after neodymium magnet. demonstrated stability, retaining catalytic efficacy over five consecutive cycles only 4% loss activity. study highlights potential NiBx/Ni low-cost efficient industrial

Язык: Английский

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Synthesis of novel azo‐linked 4‐arylidene‐benzodiazepine using cellulose@SP@catechin@Fe₃O₄ nanocomposite and study of their antioxidant activity

Applied Organometallic Chemistry, Год журнала: 2024, Номер 38(6)

Опубликована: Март 28, 2024

In the present study, cellulose@SP@catechin@Fe 3 O 4 nanocomposite underwent synthesis and characterization employing various analytical techniques, including Fourier transform‐infrared spectroscopy (FT‐IR), field‐emission scanning electron microscopy, transmission Brunauer–Emmett–Teller analysis, thermogravimetric vibrating sample magnetometry, X‐ray powder diffraction, spectroscopy. This reusable efficient facilitated of azo‐linked 4‐arylidene‐benzodiazepine, resulting in products with high yields. Characterization these was conducted utilizing 1 H nuclear magnetic resonance (NMR), 13 C NMR, FT‐IR spectral data alongside mass analyses. Additionally, their antioxidant activities were assessed via 1,1‐diphenyl‐2‐picrylhydrazyl analysis.

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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Synthesis, characterization, antiproliferative, antibacterial activity, RDG, ELF, LOL Molecular docking and physico chemical properties of novel benzodiazepine derivatives

Journal of Molecular Structure, Год журнала: 2024, Номер 1322, С. 140519 - 140519

Опубликована: Окт. 28, 2024

Язык: Английский

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Magnetic carbon nanotubes modified with proteins and hydrophilic monomers: Cytocompatibility, in-vitro toxicity assays and permeation across biological interfaces

International Journal of Biological Macromolecules, Год журнала: 2024, Номер 269, С. 131962 - 131962

Опубликована: Апрель 29, 2024

Язык: Английский

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A new strategy for immobilization of copper on the Fe3O4@EDTA nanocomposite and its efficient catalytic applications in reduction and one-pot reductive acetylation of nitroarenes and also N-acetylation of arylamines

Heliyon, Год журнала: 2024, Номер 10(15), С. e35062 - e35062

Опубликована: Июль 26, 2024

A new and efficient Cu(II)-containing mesoporous nanocatalytic system was synthesized by direct immobilization of copper metal powder on the Fe

Язык: Английский

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Synthesis of novel 4-arylidene-benzodiazepines using Cellulose@SiPr@Catechin@Fe3O4

Results in Chemistry, Год журнала: 2024, Номер 7, С. 101525 - 101525

Опубликована: Янв. 1, 2024

This research work describes the synthesis and characterization of Cellulose@SiPr@Catechin@Fe3O4 nanocomposite, a novel effective nanocatalyst in 1,5-benzodiazepine derivatives by reaction 1,2-phenylenediamine, Meldrum's acid azo aldehydes. 1H NMR, 13C FTIR spectral data mass analyses characterized all products. The was fourier transform infrared spectroscopy (FT-IR), field emission scanning electron microscope (FE-SEM), transmission (TEM), Brunauer–Emmett–Teller (BET), X-ray powder diffraction (XRD), (EDX), vibrating sample magnetometry (VSM), thermogravimetric analysis (TGA).

Язык: Английский

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