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September 2, 2026Cumhuriyet Science JournalOpen Access

Targeting Cholinesterases: Synthesis of Novel Thiosemicarbazone-Carbamate Derivatives

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Authors

HSHasan Erdinç SellitepeAAAhmet Buğra AkselDADidem Akkaya

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Overview

In vitro study uncovers preferential butyrylcholinesterase inhibition by thiosemicarbazone-carbamates in enzyme assays, highlighting their potential for Alzheimer's disease treatment.

Key Points

  • Design and synthesize novel thiosemicarbazone-carbamate derivatives from vanillin and isovanillin to act as dual inhibitors of acetylcholinesterase and butyrylcholinesterase for Alzheimer's disease.
  • Synthesized six novel thiosemicarbazone-carbamate derivatives (8a–c, 9a–c) using vanillin and isovanillin scaffolds.
  • Evaluated in vitro inhibitory activity and inhibition mechanisms against acetylcholinesterase (AChE) and butyrylcholinesterase (BChE).
  • Performed molecular docking simulations and in silico pharmacokinetic assessments of blood-brain barrier permeability.
  • Compound 8a was the most potent BChE inhibitor, demonstrating 81.49% inhibition at 100 µM and an IC50 of 58.41 µM through a non-competitive mechanism.
  • Compound 9c demonstrated the highest AChE inhibition across the series, reaching 40.27% inhibition at 100 µM.
  • In silico profiling confirmed drug-like properties, catalytic site hydrogen bonding and π-π interactions, and blood-brain barrier permeability scores between 4.00 and 4.01.

Cite This Study

Sellitepe et al. (2026) studied this question.

synapsesocial.com/papers/6a97e29ec562ede874ec6d89https://doi.org/10.17776/csj.1916608
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