一种新的Axin/β-Catenin相互作用调节剂,可恢复阿尔茨海默病中EAAT2的表达:一种计算机和体外方法

IF 3.5 3区 医学 Q2 ENDOCRINOLOGY & METABOLISM
Harminder Kaur, Biman Saikia, Gajendra Choudhary, Manisha Prajapat, Ketaki Ghosh, Subrata Ghosh, Prasenjit Mondal, Ajay Prakash, Bikash Medhi
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引用次数: 0

摘要

阿尔茨海默病(AD)是一种以突触功能障碍和神经元丧失为特征的进行性神经退行性疾病,谷氨酸兴奋毒性在其病理中起核心作用。负责维持突触谷氨酸稳态的星形细胞谷氨酸转运蛋白EAAT2在AD中显著下调。恢复EAAT2的表达是一种很有前景的治疗策略。本研究探讨了通过靶向Axin-1/β-catenin相互作用调节Wnt/β-catenin信号通路以提高EAAT2水平的潜力。通过对Asinex-CNS数据库中的120,993个化合物进行虚拟筛选,基于分子对接、MMGBSA评分和药物相似性参数确定了5个候选候选化合物。先进的硅分析-包括主成分分析,动态相互关联映射,分子动力学模拟和MM/PBSA结合自由能计算-强调BAS 04937103是最有希望破坏β-catenin降解的化合物。利用C6胶质瘤细胞和原代星形胶质细胞培养的体外验证表明,BAS 04937103增强了β-catenin的稳定性和核易位,降低了Axin-1的表达,并显著上调了EAAT2的水平。这些分子效应与细胞外谷氨酸浓度降低、谷氨酸摄取改善和氧化应激减少有关。综上所述,这些发现表明BAS 04937103是一种新的轴蛋白/β-catenin相互作用调节剂,具有减轻谷氨酸介导的阿尔茨海默病神经毒性的治疗潜力。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
A novel modulator of the Axin/β-Catenin interaction to restore EAAT2 expression in alzheimer's disease: an in-silico and in-vitro approach.

Alzheimer's disease (AD) is a progressive neurodegenerative disorder marked by synaptic dysfunction and neuronal loss, with glutamate excitotoxicity playing a central role in its pathology. The astrocytic glutamate transporter EAAT2, responsible for maintaining synaptic glutamate homeostasis, is significantly downregulated in AD. Restoration of EAAT2 expression presents a promising therapeutic strategy. This study explores the potential of modulating the Wnt/β-catenin signaling pathway to enhance EAAT2 levels by targeting the Axin-1/β-catenin interaction. Through virtual screening of 120,993 compounds from the Asinex-CNS database, five lead candidates were identified based on molecular docking, MMGBSA scores, and drug-likeness parameters. Advanced in-silico analyses-including Principal Component Analysis, Dynamic Cross-Correlation Mapping, molecular dynamics simulations, and MM/PBSA binding free energy calculations-highlighted BAS 04937103 as the most promising compound for disrupting β-catenin degradation. In vitro validation using C6 glioma cells and primary astrocytic cultures demonstrated that BAS 04937103 enhanced β-catenin stabilization and nuclear translocation, reduced Axin-1 expression, and significantly upregulated EAAT2 levels. These molecular effects corresponded with decreased extracellular glutamate concentrations, improved glutamate uptake, and reduced oxidative stress. Collectively, these findings establish BAS 04937103 as a novel modulator of the Axin/β-catenin interaction with therapeutic potential in mitigating glutamate-mediated neurotoxicity in Alzheimer's disease.

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来源期刊
Metabolic brain disease
Metabolic brain disease 医学-内分泌学与代谢
CiteScore
5.90
自引率
5.60%
发文量
248
审稿时长
6-12 weeks
期刊介绍: Metabolic Brain Disease serves as a forum for the publication of outstanding basic and clinical papers on all metabolic brain disease, including both human and animal studies. The journal publishes papers on the fundamental pathogenesis of these disorders and on related experimental and clinical techniques and methodologies. Metabolic Brain Disease is directed to physicians, neuroscientists, internists, psychiatrists, neurologists, pathologists, and others involved in the research and treatment of a broad range of metabolic brain disorders.
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