In silico Analysis of Alkaloids for Therapeutic Use in Treatment of Alzheimer's Disease by Targeting Acetylcholinesterase Enzyme

M. Mahmood, Tiyyaba Furqan, Muaaz Karim, Sidra Batool
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Abstract

Alzheimer’s is a progressive mental deterioration associated with the degeneration of the cognition activities and memory loss. It is considered to be a multifactorial disease. One of the causes of the Alzheimer’s disease is the low concentration of the neurotransmitter named acetylcholine (ACh) at the synaptic cleft. Thus, inhibitor of Acetylcholinesterase (AChE), an enzyme whose function is to degrade the acetylcholine, is proved to be a promising candidate to treat this disease. Among the inhibitors are the natural alkaloids that also have an inhibitory effect on the AChE. In this study we have focused on the simple derivates of beta carbolime (a group of alkaloids) and studied their interaction with AChE via rigid protein-ligand docking approach.
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乙酰胆碱酯酶靶向治疗阿尔茨海默病生物碱的硅分析
阿尔茨海默氏症是一种与认知活动退化和记忆丧失有关的进行性精神退化。它被认为是一种多因素疾病。导致阿尔茨海默病的原因之一是突触间隙处一种名为乙酰胆碱(ACh)的神经递质浓度低。因此,乙酰胆碱酯酶(AChE)的抑制剂,其功能是降解乙酰胆碱,被证明是治疗这种疾病的一个有希望的候选者。抑制剂中有天然生物碱,对乙酰胆碱有抑制作用。在本研究中,我们重点研究了β -碳肽(一组生物碱)的简单衍生物,并通过刚性蛋白质配体对接的方法研究了它们与乙酰胆碱酯的相互作用。
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