ArticleChemico-biological interactions2019
A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies.
Article in Chemico-biological interactions, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 47 papers.
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47 citing papers in PubMed, 138 citations in OpenAlex.
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- Kinetic and structural evidence for specific DMSO interference with reversible binding of uncharged bis-oximes to hAChE and their reactivation kinetics of OP-hAChE.Chemico-biological interactions · 2025Article
- Electrochemical synthesis of spirooxindole-pyranopyrazole and spirooxindole-chromene derivatives as inhibitors of acetylcholinesterase.BMC chemistry · 2025Article
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- Searching for potential acetylcholinesterase inhibitors: a combined approach of multi-step similarity search, machine learning and molecular dynamics simulations.Royal Society open science · 2024Article
- Comparison of two crystal polymorphs of NowGFP reveals a new conformational state trapped by crystal packing.Acta crystallographica. Section D, Structural biology · 2024Article
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- Ceanothanes Derivatives as Peripheric Anionic Site and Catalytic Active Site Inhibitors of Acetylcholinesterase: Insights for Future Drug Design.International journal of molecular sciences · 2024Article
- Amine-containing donepezil analogues as potent acetylcholinesterase inhibitors with increased polarity.RSC medicinal chemistry · 2024Article
- Evaluation of Anticholinesterase Activity of the Fungicides Mefentrifluconazole and Pyraclostrobin.International journal of molecular sciences · 2024Article
- Exploring Chemical Composition, Antioxidant, Enzyme Inhibitory and Cytotoxic Properties ofAntioxidants (Basel, Switzerland) · 2024Article
- Influence of N-protonation on electronic properties of acridine derivatives by quantum crystallography.RSC advances · 2024Article
- Biological and computational evaluation of novel benzofuranyl derivatives as acetylcholinesterase and butyrylcholinesterase inhibitors.Future medicinal chemistry · 2024Article
- Computational Investigation of Novel Compounds as Dual Inhibitors of AChE and GSK-3β for the Treatment of Alzheimer's Disease.Current topics in medicinal chemistry · 2024Article
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Authors and funding
7 authors at 4 institutions in 1 country.
Funding
Abstract
Structure-guided design of novel pharmacologically active molecules relies at least in part on functionally relevant accuracy of macromolecular structures for template based drug design. Currently, about 95% of all macromolecular X-ray structures available in the PDB (Protein Data Bank) were obtained from diffraction experiments at low, cryogenic temperatures. However, it is known that functionally relevant conformations of both macromolecules and pharmacological ligands can differ at higher, physiological temperatures. We describe in this article development and properties of new human acetylcholinesterase (AChE) crystals of space group P3
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