阿尔茨海默病(AD)是一种导致老年人认知障碍的脑部疾病,尤其是女性,作为遗传学的结果,荷尔蒙,和生活经验。随着年龄的增长,它变得更加严重,并与心血管疾病有关,高血压,和糖尿病。β-淀粉样蛋白斑块和过度磷酸化Tau蛋白积聚是常见的临床发现。淀粉样蛋白前体蛋白(APP)和淀粉样β肽(Aβ)蛋白的误检有助于阿尔茨海默病。酶乙酰胆碱酯酶与β淀粉样蛋白相互作用,增强其在不溶性斑块中的积累,导致阿尔茨海默病的成功治疗主要基于降低这种酶。治疗包括使用Rivastigmine治疗轻度,中度,或严重的老年痴呆症,抑制乙酰胆碱酯酶,但可能会引起副作用;龙葵碱衍生物,茄子毒素,它是胆碱酯酶抑制性的,可能减轻阿尔茨海默氏症的疾病正在进展。在这项研究中,利用了分子对接程序,这是计算机的计算能力,可以确定特定化合物与蛋白质或靶标结合的最佳位置,形成靶-配体复合物并显示生物活性,并有助于开发有效的抗AD治疗方法和理解AD病理机制。该研究检查了A和B链中3LII(乙酰胆碱酯酶受体)与龙葵碱和卡巴拉汀衍生物的复合物,使用计算机内的方法。PyRx默认分类器用于提高对接精度。根据其在链A和B中的较高结合亲和力选择了四个化合物。结果表明,龙葵碱衍生物(α-龙葵碱,Beta1-龙葵碱和Beta2-龙葵碱)在链A中的结合强度(-9.0,-9.3和-8.6)比卡巴拉汀(-7.2)高,此外,龙葵碱衍生物的结合强度也很高(α-龙葵碱,Beta1-茄碱,并且Beta2-龙葵碱)(-9.0,-8.8和-8.9)高于链B中的卡巴拉汀(-6.0)。龙葵碱衍生物与乙酰胆碱酯酶的结合强度更高,有可能减少疾病的进展。
Alzheimer\'s disease (AD) is a brain illness that causes cognitive impairment in the elderly, especially females, as a result of genetics, hormones, and life experiences. It becomes more severe with age and is associated with cardiovascular disease, hypertension, and diabetes. Beta-amyloid plaques and hyper phosphorylated Tau protein buildup are common clinical findings. Misfiling of amyloid precursor protein (APP) and Amyloid beta peptide (Aβ) proteins contributes to Alzheimer\'s disease. Enzyme Acetylcholinesterase enzyme interacts with amyloid-beta, enhancing its accumulation in insoluble plaques, leading to successful treatment for Alzheimer\'s disease primarily based on lowering this enzyme. Treatments include using the
Rivastigmine for mild, moderate, or severe Alzheimer\'s disease, which inhibits acetylcholinesterase, but may cause side effects; Solanine derivatives, nightshade toxin, it is cholinesterase inhibitory, may mitigate Alzheimer\'s illness is progressing. In this research utilized a molecular docking program, which is a computer\'s computational ability to determine the optimal position for a specific compound to bind to a protein or target, forming a target-ligand complex and displaying biological activity and aiding in the development of effective anti-AD treatments and understanding AD pathological mechanisms. The study examined complexes of 3LII (Acetylcholinesterase receptor) in the A and B chain with Solanine and
Rivastigmine derivatives, using an in-silico approach. PyRx default sorter was used to improve docking accuracy. Four compounds were selected based on their higher binding affinities in chain A and B. The results showed that Solanine derivatives (alpha-Solanine, Beta1-Solanine and Beta2-Solanine) have higher binding strength (-9.0,-9.3 and -8.6) than
Rivastigmine (-7.2) in chain A, and also the binding strength was high for the Solanine derivatives (alpha-Solanine, Beta1-Solanine, and Beta2-Solanine) (-9.0,-8.8 and -8.9) is higher than
Rivastigmine (-6.0) in the chain B. Solanine derivatives showed higher binding strength with acetylcholinesterase, potentially for to reduce the progression of the disease.