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药物分子建模洞察与阿尔茨海默病假说

Molecular Modeling Insights on the Pharmaceuticals and Hypotheses of Alzheimer's Disease.

作者信息

de Castro Alexandre A, Silva Henrique F, Garcia Maria V F P, Homem-de-Mello Paula, Ramalho Teodorico C

机构信息

Center for Natural and Human Sciences, Federal University of ABC, Santo André, 09280-560, Brazil.

Department of Chemistry, Federal University of Lavras, Lavras, 37200-000, Brazil.

出版信息

Curr Med Chem. 2025;32(25):5110-5138. doi: 10.2174/0109298673318143240823064403.

Abstract

Alzheimer's disease (AD) stands as the predominant contributor to dementia cases. The ongoing developments in our understanding of its pathogenesis have sparked the interest of researchers, driving them to explore innovative treatment approaches. Existing therapies incorporating cholinesterase inhibitors and/or NMDA antagonists have shown limited improvement in alleviating symptoms. This, in turn, highlights the urgency for the pursuit of more effective therapeutic options. Given the annual rise in the number of individuals affected by dementia, it is imperative to allocate resources and efforts towards the exploration of novel therapeutic options. This review aims to provide a comprehensive overview of the AD-related hypotheses, along with the computational approaches employed in research within each hypothesis. In this comprehensive review, the authors shed light on using various computational tools, including diverse case studies, in the pursuit of finding efficacious treatments for AD. The development of more sophisticated diagnostic techniques is crucial, enabling early detection and intervention in the battle against this challenging condition. The potential treatments investigated in this analysis are poised to assume ever more significant functions in both preventing and treating AD, ultimately enhancing the management of the condition and the overall well-being of individuals affected by AD.

摘要

阿尔茨海默病(AD)是导致痴呆病例的主要原因。我们对其发病机制的认识不断发展,激发了研究人员的兴趣,促使他们探索创新的治疗方法。现有的包含胆碱酯酶抑制剂和/或N-甲基-D-天冬氨酸(NMDA)拮抗剂的疗法在缓解症状方面改善有限。这反过来凸显了寻求更有效治疗选择的紧迫性。鉴于每年受痴呆症影响的人数不断增加,必须投入资源和精力来探索新的治疗选择。本综述旨在全面概述与AD相关的假说,以及每个假说研究中采用的计算方法。在这篇全面的综述中,作者阐述了如何使用各种计算工具,包括不同的案例研究,来寻找AD的有效治疗方法。开发更先进的诊断技术至关重要,这有助于在对抗这种具有挑战性的疾病中实现早期检测和干预。本分析中研究的潜在治疗方法在预防和治疗AD方面将发挥越来越重要的作用,最终改善对该疾病的管理以及提高AD患者的整体健康水平。

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