Computational Investigation of the Interaction Mechanism of Some anti-Alzheimer Drugs with the Acetylcholinesterase Enzyme

Authors : Sefa ÇELİK, A Demet DEMİRAG, Ali Osman COŞGUN, Ayşen ÖZEL, Sevim AKYÜZ

Pages : 11-21

Doi:10.56171/ojn.1109606

View : 33 | Download : 10

Publication Date : 2023-06-30

Article Type : Research Paper

Abstract :The molecular structures of the lowest-energy conformers of donepezil insert ignore into journalissuearticles values(C24H29NO3);, rivastigmine insert ignore into journalissuearticles values(C14H22N2O2);, and galantamine insert ignore into journalissuearticles values(C17H21NO3);, which are extensively used in Alzheimer\`s disease and other memory disorders, were identified using the Spartan06 program and the MMFF method. The optimized geometries, obtained with the same method, were used as initial data in molecular docking investigations with the Acetylcholinesterase enzyme. The binding modes, binding affinities, and interactions were comparatively determined as consequence of the calculations.
Keywords : Asetilkolinesteraz Enzimi, Alzheimer, Donepezil, Rivastigmin, Galantamin, Moleküler Kenetlenme

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