Investigation of Vitamins as Potential Dual Inhibitors of Acetylcholinesterase and β-secretase
*Corresponding Author: Dr. Haitham Ahmed Al-Madhagi, Department of Applied Sciences, University of Thamar, Thamar, Yemen, Email: bio.haitham@gmail.comReceived Date: Aug 29, 2022 / Published Date: Sep 30, 2022
Citation: Al-Madhagi HA (2022) Investigation of Vitamins as Potential Dual Inhibitors of Acetylcholinesterase and β-secretase. J Alzheimers Dis Parkinsonism 12: 552.DOI: 10.4172/2161-0460.1000552
Copyright: © 2022 Al-Madhagi HA. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.
Abstract
Background: Alzheimer's Disease (AD) is a chronic neurodegenerative disease affecting primarily people with 65 years or older. The current therapy of AD involves the combination of at least 2 drug options to target different aspects of the disease. The study purpose is to investigate the capability of vitamins to act as dual inhibitors of acetylcholinesterase (AChE) as well as β-secretase (BACE) in silico.
Methods: The whole set of vitamins structures were docked against AChE and BACE using the AutoDock vina interface within UCSF Chimera. In addition, ADME parameters were predicted via SwissADME server.
Results: Two vitamins (vitamin K2 and B9) proved efficacious dual binding to both targets in comparison with the standard inhibitors of the examined targets. Nevertheless, their ADME properties were found to suffer from at least one violation to Lipinski's rule of five.
Conclusion: Vitamins K2 and B9 are superior candidates as dual inhibitors for AD.