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Cyclic Peptidomimetic Lead Compounds to Reduce Neurotoxicity and Associated Oxidative Stress in Alzheimer's Disease

机译:环肽模拟物铅化合物可降低阿尔茨海默氏病的神经毒性和相关的氧化应激

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Cyclic peptidomimetic compounds have been investigated utilizing ab initio Hartree Fock molecular orbital calculations. Prospective use of these ionophores as curative drugs for Alzheimer’s disease has been investigated by considering their metal toxicity removal efficiency. A (2,4,2,4) system that is, ((gly-et)-(ala-gly-gly-et))2 with CH2NH backbone is predicted to undergo low conformational reorganization in presence of Zn2+ ion with moderate electrostatic stabilization of ion. Conformation of this system and molecular weight render it suitable to be a lead compound for metal toxicity removal drugs required in AD.
机译:循环拟肽化合物已利用从头算起的Hartree Fock分子轨道计算进行了研究。考虑到它们的金属毒性去除效率,已经研究了将这些离子载体用作治疗阿尔茨海默氏病的药物。带有CH2NH主链的((gly-et)-((ala-gly-gly-et)))2的(2,4,2,4)系统被预测在适度静电的Zn2 +离子存在下会经历低构象重组稳定离子。该系统的构型和分子量使其适合用作AD中所需的金属毒性去除药物的先导化合物。

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