- Open Journal of Nano
- Vol: 8 Issue: 1
- Computational Investigation of the Interaction Mechanism of Some anti-Alzheimer Drugs with the Acety...
Computational Investigation of the Interaction Mechanism of Some anti-Alzheimer Drugs with the Acetylcholinesterase Enzyme
Authors : Sefa Çelik, A. Demet Demirag, Ali Osman Coşgun, Ayşen Özel, Sevim Akyüz
Pages : 11-21
Doi:10.56171/ojn.1109606
View : 10 | Download : 4
Publication Date : 2023-06-30
Article Type : Research
Abstract :The molecular structures of the lowest-energy conformers of donepezil (C24H29NO3), rivastigmine (C14H22N2O2), and galantamine (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