ArticleNature communications2013
Assembly of a π-π stack of ligands in the binding site of an acetylcholine-binding protein.
Article in Nature communications, 2013. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 24 papers.
What it found
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Who cites it
24 citing papers in PubMed, 69 citations in OpenAlex.
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- Stacked binding of a PET ligand to Alzheimer's tau paired helical filaments.Nature communications · 2023Article
- π-Stacking Isomerism in Polycyclic Aromatic Hydrocarbons: The 2-Naphthalenethiol Dimer.The journal of physical chemistry letters · 2023Article
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- Switching Hydrogen Bonding to π-Stacking: The Thiophenol Dimer and Trimer.The journal of physical chemistry letters · 2021Article
- Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.Journal of medicinal chemistry · 2020Article
- GABAInternational journal of molecular sciences · 2020Article
- In Silico Modeling of the α7 Nicotinic Acetylcholine Receptor: New Pharmacological Challenges Associated with Multiple Modes of Signaling.Mini reviews in medicinal chemistry · 2020Review
- Structure and Dynamics of Stacking Interactions in an Antibody Binding Site.Biochemistry · 2019Article
- Asymmetry in catalysis byScience advances · 2019Article
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- Fragment-based design of small molecule PCSK9 inhibitors using simulated annealing of chemical potential simulations.PloS one · 2019Article
- Characterization of potent and selective iodonium-class inhibitors of NADPH oxidases.Biochemical pharmacology · 2017Article
- Small-Molecule-Based Self-Assembled Ligands for G-Quadruplex DNA Surface Recognition.ACS omega · 2017Article
- Discovery, synthesis, biological evaluation and structure-based optimization of novel piperidine derivatives as acetylcholine-binding protein ligands.Acta pharmacologica Sinica · 2017Article
- Polymyxins and quinazolines are LSD1/KDM1A inhibitors with unusual structural features.Science advances · 2016Article
- Structural Studies of GABAA Receptor Binding Sites: Which Experimental Structure Tells us What?Frontiers in molecular neuroscience · 2016Article
- Pharmacological folding chaperones act as allosteric ligands of Frizzled4.Nature chemical biology · 2015Article
Corrections and comments
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Authors and funding
10 authors at 4 institutions in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Acetylcholine-binding protein is a water-soluble homologue of the extracellular ligand-binding domain of cys-loop receptors. It is used as a structurally accessible prototype for studying ligand binding to these pharmaceutically important pentameric ion channels, in particular to nicotinic acetylcholine receptors, due to conserved binding site residues present at the interface between two subunits. Here we report that an aromatic conjugated small molecule binds acetylcholine-binding protein in an ordered π-π stack of three identical molecules per binding site, two parallel and one antiparallel. Acetylcholine-binding protein stabilizes the assembly of the stack by aromatic contacts. Thanks to the plasticity of its ligand-binding site, acetylcholine-binding protein can accommodate the formation of aromatic stacks of different size by simple loop repositioning and minimal adjustment of the interactions. This type of supramolecular binding provides a novel paradigm in drug design.
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.