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A Review on Recent Approaches on Molecular Docking Studies of Novel Compounds Targeting Acetylcholinesterase in Alzheimer Disease.
Molecules. 2023 Jan 21; 28(3)M

Abstract

Alzheimer's disease (AD), a neurodegenerative brain disorder that affects millions of people worldwide, is characterized by memory loss and cognitive decline. Low levels of acetylcholine and abnormal levels of beta-amyloid, T protein aggregation, inflammation, and oxidative stress, have been associated with AD, and therefore, research has been oriented towards the cholinergic system and primarily on acetylcholinesterase (AChE) inhibitors. In this review, we are focusing on the discovery of AChE inhibitors using computer-based modeling and simulation techniques, covering the recent literature from 2018-2022. More specifically, the review discusses the structures of novel, potent acetylcholinesterase inhibitors and their binding mode to AChE, as well as the physicochemical requirements for the design of potential AChE inhibitors.

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Authors+Show Affiliations

Peitzika SC
Department of Pharmaceutical Chemistry, School of Pharmacy, Faculty of Health Sciences, Aristotle University of Thessaloniki, 54124 Thessaloniki, Greece.
Pontiki E
Department of Pharmaceutical Chemistry, School of Pharmacy, Faculty of Health Sciences, Aristotle University of Thessaloniki, 54124 Thessaloniki, Greece.

MeSH

HumansAlzheimer DiseaseMolecular Docking SimulationAcetylcholinesteraseCholinesterase InhibitorsAmyloid beta-Peptides

Pub Type(s)

Journal Article
Review

Language

eng

PubMed ID

36770750

Citation

Peitzika, Stergiani-Chrysovalanti, and Eleni Pontiki. "A Review On Recent Approaches On Molecular Docking Studies of Novel Compounds Targeting Acetylcholinesterase in Alzheimer Disease." Molecules (Basel, Switzerland), vol. 28, no. 3, 2023.
Peitzika SC, Pontiki E. A Review on Recent Approaches on Molecular Docking Studies of Novel Compounds Targeting Acetylcholinesterase in Alzheimer Disease. Molecules. 2023;28(3).
Peitzika, S. C., & Pontiki, E. (2023). A Review on Recent Approaches on Molecular Docking Studies of Novel Compounds Targeting Acetylcholinesterase in Alzheimer Disease. Molecules (Basel, Switzerland), 28(3). https://doi.org/10.3390/molecules28031084
Peitzika SC, Pontiki E. A Review On Recent Approaches On Molecular Docking Studies of Novel Compounds Targeting Acetylcholinesterase in Alzheimer Disease. Molecules. 2023 Jan 21;28(3) PubMed PMID: 36770750.
* Article titles in AMA citation format should be in sentence-case
TY - JOUR T1 - A Review on Recent Approaches on Molecular Docking Studies of Novel Compounds Targeting Acetylcholinesterase in Alzheimer Disease. AU - Peitzika,Stergiani-Chrysovalanti, AU - Pontiki,Eleni, Y1 - 2023/01/21/ PY - 2022/11/30/received PY - 2023/1/9/revised PY - 2023/1/18/accepted PY - 2023/2/11/entrez PY - 2023/2/12/pubmed PY - 2023/2/15/medline KW - AChE inhibitors KW - Alzheimer’s disease KW - acetylocholinesterase KW - catalytic active site KW - molecular docking KW - peripheral anionic site KW - simulation techniques JF - Molecules (Basel, Switzerland) JO - Molecules VL - 28 IS - 3 N2 - Alzheimer's disease (AD), a neurodegenerative brain disorder that affects millions of people worldwide, is characterized by memory loss and cognitive decline. Low levels of acetylcholine and abnormal levels of beta-amyloid, T protein aggregation, inflammation, and oxidative stress, have been associated with AD, and therefore, research has been oriented towards the cholinergic system and primarily on acetylcholinesterase (AChE) inhibitors. In this review, we are focusing on the discovery of AChE inhibitors using computer-based modeling and simulation techniques, covering the recent literature from 2018-2022. More specifically, the review discusses the structures of novel, potent acetylcholinesterase inhibitors and their binding mode to AChE, as well as the physicochemical requirements for the design of potential AChE inhibitors. SN - 1420-3049 UR - https://www.unboundmedicine.com/medline/citation/36770750/A_Review_on_Recent_Approaches_on_Molecular_Docking_Studies_of_Novel_Compounds_Targeting_Acetylcholinesterase_in_Alzheimer_Disease_ DB - PRIME DP - Unbound Medicine ER -