Abstract
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.
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