Molecular pathways: the quest for effective MAO-B inhibitors in neurodegenerative therapy

Molecular Biology Reports, Год журнала: 2025, Номер 52(1)

Опубликована: Фев. 17, 2025

Язык: Английский

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Novel Aromatic Heterocycles for Dual MAO A and B Inhibitors: A Promising Strategy for Parkinson's Disease Treatment

ChemistrySelect, Год журнала: 2025, Номер 10(1)

Опубликована: Янв. 1, 2025

Abstract Recent advancements in the synthesis of aromatic heterocycles have shown promise inhibition monoamine oxidase (MAO) A and B enzymes implicated pathophysiology Parkinson's disease (PD). These heterocyclic compounds are particular interest due to their structural diversity significant pharmacological potential.This review discusses various strategies for enhancing MAO inhibitory activity, emphasizing positional modifications. Notable progress includes development thiazole‐based imidazole‐based with detailed exploration synthetic methodologies structure–activity relationships. demonstrated potential targeting metabolism neurotransmitters, particularly dopamine, which is crucial managing PD symptoms.The offers a promising pathway developing novel therapeutics disease. The these compounds, combined ability modulate neurotransmitter levels, present hopeful avenue more effective management. However, further research, including structure‐based design vivo validation, essential fully realize therapeutic efficacy improve treatment outcomes

Язык: Английский

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Synthesis, molecular docking study, molecular dynamics simulation and ADMET prediction of new Sulfa drugs having CA II Inhibitory effect and antidiabetic activity.

Journal of Molecular Structure, Год журнала: 2025, Номер unknown, С. 142015 - 142015

Опубликована: Март 1, 2025

Язык: Английский

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Synthesis of novel sulphonamide derivatives from tunable quinolines with computational studies

Scientific Reports, Год журнала: 2025, Номер 15(1)

Опубликована: Март 31, 2025

Abstract The synthesis of new quinoline-sulphonamide derivatives was accomplished through a meticulous five-step molecular assembly utilizing Suzuki, acid–amine cross-coupling reactions and N-alkylation. integrity each derivative thoroughly confirmed via comprehensive spectroscopic analyses, including 1 H 13 C NMR, DEPT-135, H- COSY, HSQC NMR HRMS techniques. Subsequently, the absorbance emission spectra newly synthesized were investigated. Absorbance determined to be restricted within range 337 nm 341.73 nm, with compound 10j exhibiting maximum wavelength nm; conversely, uniformly detected 411.70 429.90 upon excitation at 340 10f demonstrating highest nm. Notably, these fluorophores displayed impressive characteristics, high intensity significant molar extinction coefficients; quantum yield ranging from 0.015 0.558 along stokes shifts in 10h (0.6237 × 10 –4 ) acetonitrile solvent. Additionally, 10p showed strong binding affinity favorable pharmacokinetic properties docking studies ADMET calculations. electronic structure molecules elucidated using techniques such as density functional theory (DFT) electrostatic potential (MEP) mapping. calculated global reactivity parameters provided valuable insights. Compound exhibited distinctly low energy gap compared other compounds, its exceptional properties. comparison between experimental theoretical UV–vis major contribution transition percentage also showcased remarkable consistency quality derivatives, highlighting this work field fluorophore biological application.

Язык: Английский

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Current pharmacophore based approaches for the development of new anti-Alzheimer’s agents

Bioorganic & Medicinal Chemistry, Год журнала: 2024, Номер 113, С. 117926 - 117926

Опубликована: Сен. 13, 2024

Язык: Английский

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Design, synthesis and molecular docking study of novel quinoline–triazole molecular hybrids as anticancer agents

Journal of Molecular Structure, Год журнала: 2024, Номер unknown, С. 140072 - 140072

Опубликована: Сен. 1, 2024

Язык: Английский

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Synthesis, Molecular Electron Density Theory Study, Molecular Docking, and Pharmacological Evaluation of New Coumarin–Sulfonamide–Nitroindazolyl–Triazole Hybrids as Monoamine Oxidase Inhibitors

International Journal of Molecular Sciences, Год журнала: 2024, Номер 25(12), С. 6803 - 6803

Опубликована: Июнь 20, 2024

Inhibitors of monoamine oxidases (MAOs) are interest for the treatment neurodegenerative disorders and other human pathologies. In this frame, present work describes different synthetic strategies to obtain MAO inhibitors via coupling aminocoumarin core with arylsulfonyl chlorides followed by copper azide-alkyne cycloaddition, leading coumarin-sulfonamide-nitroindazolyl-triazole hybrids. The nitration position on coumarin moiety was confirmed through nuclear magnetic resonance spectroscopy molecular electron density theory in order elucidate mechanism selectivity electrophilic aromatic substitution reaction. derivatives were evaluated their inhibitory potency against cholinesterases. Molecular docking calculations provided a rational binding mode best compounds series A B. identified hybrids 14a-c as novel inhibitors, selective action isoform B, potential combat neurological diseases.

Язык: Английский

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Synthesis, Molecular Docking Study, Molecular Dynamics Simulation and Adme Prediction of New Sulfa Drugs Having Ca Ii Inhibitory Effect and Antidiabetic Activity

Опубликована: Янв. 1, 2024

Язык: Английский

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Synthesis and Monoamine Oxidase Inhibition Properties of (Sulfamoylphenyl)quinoline-4-carboxylic Acids

Russian Journal of General Chemistry, Год журнала: 2024, Номер 94(10), С. 2593 - 2602

Опубликована: Окт. 1, 2024

Язык: Английский

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