Design and Development of Cholinesterase Dual Inhibitors towards Alzheimer's Disease Treatment: A Focus on Recent Contributions from Computational and Theoretical Perspective,ChemistrySelect

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Design and Development of Cholinesterase Dual Inhibitors towards Alzheimer's Disease Treatment: A Focus on Recent Contributions from Computational and Theoretical Perspective
ChemistrySelect ( IF 1.9 ) Pub Date : 2020-11-27 , DOI: 10.1002/slct.202003573
Fatima Y. Adeowo ₁ , Monsurat M. Lawal ₁ , Hezekiel M. Kumalo ₁

Affiliation

In recent times, review topics on Alzheimer's disease (AD) have received massive attention, especially on drug design and development of potent inhibitors targeting specific pathway(s) of this multifaceted disease. Drug design and development through the use of computer has taken an intriguing dimension over the last two decades, and AD drug design is not an exception. Computational approaches have found usage in identifying potentially active molecules targeting specific enzyme or gene in the pathological pathway of a disease such as AD. Herein, we present an overview of research contributions over the last ten years from different authors who had used computational approaches to explore potent dual inhibitors of the cholinesterase enzymes linked with AD pathogenesis. We gave an introductory background of the disease, highlight challenges of in silico approach to drug design, and discuss its pros and cons. The overview also covers previously reported review works which are related to the topic. We proposed that continued research efforts to unravel more effective dual acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) inhibitors through computational tools could plausibly be a successful approach to AD cure. Computational researchers should leverage on the available cost‐effective resources to identify lead compounds and work in collaboration with experimental personnel to push their discovery forward.

中文翻译：

胆碱酯酶双重抑制剂对阿尔茨海默氏病治疗的设计和开发：从计算和理论的角度来关注最近的贡献。

近年来，关于阿尔茨海默氏病（AD）的综述主题受到了广泛关注，尤其是在药物设计和针对该多方面疾病特定途径的有效抑制剂的开发方面。在过去的二十年中，通过使用计算机进行药物设计和开发已经吸引了很多人，而AD药物设计也不例外。已经发现计算方法可用于鉴定在诸如AD的疾病的病理途径中靶向特定酶或基因的潜在活性分子。在此，我们概述了过去十年来不同作者的研究贡献，他们使用计算方法来探索与AD发病机理相关的胆碱酯酶的有效双重抑制剂。我们介绍了该疾病的背景知识，重点介绍了挑战进行计算机设计药物设计，并讨论其优缺点。概述还涵盖了以前报告的与该主题相关的审阅工作。我们建议，继续进行研究以通过计算工具开发更有效的双乙酰胆碱酯酶（AChE）和丁酰胆碱酯酶（BChE）抑制剂可能是成功治愈AD的方法。计算研究人员应利用可用的具有成本效益的资源来识别先导化合物，并与实验人员合作以推动他们的发现前进。

更新日期：2020-11-27

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