Design, synthesis, investigation, and biological activity assessments of n-allyl-2-(benzylidene) hydrazine-1-carbothioamide derivatives as monoamine oxidase-b inhibitor agents
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Sazan Haji Ali
,
Derya Osmaniye
,
Begüm Nurpelin Sağlık Özkan
,
Serkan Levent
Abstract
Parkinson’s disease (PD) is a progressive neurodegenerative disease characterized by tremor and bradykinesia and is a common neurologic ailment. There are a number of other extrapyramidal conditions that can make the diagnosis challenging. Unlike other neurodegenerative diseases, idiopathic PD has effective treatments that mitigate symptoms. Inspired by the existing findings related to the hypothesis such as activated monoamine oxidase (MAO) enzyme, we have developed a series of new molecules that serve as inhibitors for MAO-B enzyme. In this investigation, a range of nitrogen-containing heterocyclic as thiosemicarbazone derivatives, are explored to showcase their functionality as inhibitors of MAO-B enzymes. This study characterizes and validates their potential as new agents for addressing PD. The produced compounds were assessed for their biological activity and cytotoxicity using nuclear magnetic resonance (NMR) and high-resolution mass spectrometry (HRMS) spectroscopy. The biological activity and cytotoxicity studies were performed for the synthesized molecules as hMAO-B inhibitors. Among the designed compounds, 3g demonstrated the best MAO-B inhibitory activity and optimal docking poses and stability in the molecular dynamic’s studies. Based on the data obtained, molecule 3g was a candidate for further investigations. Theoretical pharmacokinetic and drug ability studies showed favorable properties to the candidate compound 3g among other synthesized molecules.
Funding source: Anadolu Ãœniversitesi
Award Identifier / Grant number: Project Numbers: 2204S034 and 2209S149), Eskisehir
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Research ethics: Not applicable.
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Informed consent: Not applicable.
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Author contributions: All authors have accepted responsibility for the entire content of this manuscript and approved its submission.
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Use of Large Language Models, AI and Machine Learning Tools: None declared.
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Conflict of interest: The authors state no conflict of interest.
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Research funding: This study was supported by the Anadolu University Scientific Research Project (Project Numbers: 2204S034 and 2209S149), Eskisehir, Turkey.
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Data availability: The data that supports the findings of this study are available in the supplementary material of this article.
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Supplementary Material
This article contains supplementary material (https://doi.org/10.1515/znc-2025-0107).
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