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

Molecular Biology Reports, Journal Year: 2025, Volume and Issue: 52(1)

Published: Feb. 17, 2025

Language: Английский

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

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: unknown, P. 140072 - 140072

Published: Sept. 1, 2024

Language: Английский

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

ChemistrySelect, Journal Year: 2025, Volume and Issue: 10(1)

Published: Jan. 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

Language: 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, Journal Year: 2025, Volume and Issue: unknown, P. 142015 - 142015

Published: March 1, 2025

Language: Английский

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Synthesis of novel sulphonamide derivatives from tunable quinolines with computational studies

Scientific Reports, Journal Year: 2025, Volume and Issue: 15(1)

Published: March 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.

Language: Английский

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Role of Quinoline and Indole-Based Heterocycles in revolutionizing Alzheimer’s drug discovery – Promising futuristic structural designs

Journal of Pharmacology and Experimental Therapeutics, Journal Year: 2025, Volume and Issue: unknown, P. 103606 - 103606

Published: May 1, 2025

Language: Английский

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

Bioorganic & Medicinal Chemistry, Journal Year: 2024, Volume and Issue: 113, P. 117926 - 117926

Published: Sept. 13, 2024

Language: 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, Journal Year: 2024, Volume and Issue: 25(12), P. 6803 - 6803

Published: June 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.

Language: 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

Published: Jan. 1, 2024

Language: Английский

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

Russian Journal of General Chemistry, Journal Year: 2024, Volume and Issue: 94(10), P. 2593 - 2602

Published: Oct. 1, 2024

Language: Английский

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