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<p>Alzheimer’s disease (AD) is a progressive neurodegenerative disorder marked by cognitive decline, with butyrylcholinesterase (BuChE) and acetylcholinesterase (AChE) playing critical roles in neurotransmission and disease progression. Recent advances in drug discovery have focused on the development of inhibitors targeting AChE and BuChE, Indole and thiazole compounds are among the potential scaffolds that exhibit good pharmacokinetic profiles, blood–brain barrier permeability, and potent cholinesterase inhibition, antioxidant, and anti-amyloid properties. Through π–π stacking and hydrogen bonding, these heterocycles effectively interact with butyrylcholinesterase (BuChE) and acetylcholinesterase (AChE). This review highlights structure–activity relationship (SAR)-driven insights into the development of these inhibitors, emphasizing how modifications at the molecular level can lead to compounds with reduced side effects and enhanced efficacy. Molecular docking and structural analyses are used to examine binding interactions, providing valuable information for the design of more potent and selective drug candidates. These findings are intended to guide future drug design efforts aimed at improving the therapeutic application of AChE and BuChE inhibitors in AD treatment. Reported studies have evaluated the inhibitory activities of novel derivatives against AChE and BuChE by calculating IC₅₀ values using curve fitting and point-to-point analysis. Curve fitting involved estimating model parameters from experimental data, while point-to-point analysis plotted raw fluorescence or luminescence data against inhibitor concentrations. Reported molecular docking studies predicted binding affinities and interaction modes of inhibitors with AChE and BuChE using various sampling and scoring algorithms. Molecular structures were typically visualized using ChemDraw.</p>

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Recent advances in the design of indole and thiazole-based cholinesterase inhibitors: trends and future directions

  • 期刊论文

  • 发表日期：

    2025年12月5日

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  • Maham Chudhary

摘要

Alzheimer’s disease (AD) is a progressive neurodegenerative disorder marked by cognitive decline, with butyrylcholinesterase (BuChE) and acetylcholinesterase (AChE) playing critical roles in neurotransmission and disease progression. Recent advances in drug discovery have focused on the development of inhibitors targeting AChE and BuChE, Indole and thiazole compounds are among the potential scaffolds that exhibit good pharmacokinetic profiles, blood–brain barrier permeability, and potent cholinesterase inhibition, antioxidant, and anti-amyloid properties. Through π–π stacking and hydrogen bonding, these heterocycles effectively interact with butyrylcholinesterase (BuChE) and acetylcholinesterase (AChE). This review highlights structure–activity relationship (SAR)-driven insights into the development of these inhibitors, emphasizing how modifications at the molecular level can lead to compounds with reduced side effects and enhanced efficacy. Molecular docking and structural analyses are used to examine binding interactions, providing valuable information for the design of more potent and selective drug candidates. These findings are intended to guide future drug design efforts aimed at improving the therapeutic application of AChE and BuChE inhibitors in AD treatment. Reported studies have evaluated the inhibitory activities of novel derivatives against AChE and BuChE by calculating IC₅₀ values using curve fitting and point-to-point analysis. Curve fitting involved estimating model parameters from experimental data, while point-to-point analysis plotted raw fluorescence or luminescence data against inhibitor concentrations. Reported molecular docking studies predicted binding affinities and interaction modes of inhibitors with AChE and BuChE using various sampling and scoring algorithms. Molecular structures were typically visualized using ChemDraw.