ArticleJournal of molecular modeling2006
Acetylcholine nicotinic receptors: finding the putative binding site of allosteric modulators using the "blind docking" approach.
Article in Journal of molecular modeling, 2006. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 28 papers.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
28 citing papers in PubMed, 87 citations in OpenAlex.
- Repurposing FDA-approved drugs to find a novel inhibitor of alpha-ketoglutarate-dependent dioxygenase FTO to treat esophageal cancer.Research in pharmaceutical sciences · 2025Article
- Synthesis, characterization and evaluation of prenylated chalcones ethers as promising antileishmanial compounds.Molecular diversity · 2023Article
- Recent Advances in the Discovery of Nicotinic Acetylcholine Receptor Allosteric Modulators.Molecules (Basel, Switzerland) · 2023Review
- Application of Computational Biology and Artificial Intelligence in Drug Design.International journal of molecular sciences · 2022Review
- Article
- In silico screening of GMQ-like compounds reveals guanabenz and sephin1 as new allosteric modulators of acid-sensing ion channel 3.Biochemical pharmacology · 2020Article
- Integrated Computational Approaches and Tools forAllosteric Drug Discovery.International journal of molecular sciences · 2020Review
- CB-Dock: a web server for cavity detection-guided protein-ligand blind docking.Acta pharmacologica Sinica · 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
- Systematic exploration of multiple drug binding sites.Journal of cheminformatics · 2017Article
- Analysis of the interaction of calcitriol with the disulfide isomerase ERp57.Scientific reports · 2016Article
- Increased hydrophobic surface exposure in the cataract-related G18V variant of human γS-crystallin.Biochimica et biophysica acta · 2016Article
- Article
- Insights into the influence of 5-HT2c aminoacidic variants with the inhibitory action of serotonin inverse agonists and antagonists.Journal of molecular modeling · 2014Article
- Analysis of the anticancer activity of curcuminoids, thiotryptophan and 4-phenoxyphenol derivatives.Oncology letters · 2014Article
- Cholinergic modulation by opioid receptor ligands: potential application to Alzheimer's disease.Mini reviews in medicinal chemistry · 2013Review
- Positive modulation of the α9α10 nicotinic cholinergic receptor by ascorbic acid.British journal of pharmacology · 2013Article
- Physostigmine and galanthamine bind in the presence of agonist at the canonical and noncanonical subunit interfaces of a nicotinic acetylcholine receptor.The Journal of neuroscience : the official journal of the Society for Neuroscience · 2013Article
- Ansamitocin P3 depolymerizes microtubules and induces apoptosis by binding to tubulin at the vinblastine site.PloS one · 2013Article
- What in silico molecular docking can do for the 'bench-working biologists'.Journal of biosciences · 2012Review
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
4 authors at 2 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Allosteric potentiation of acetylcholine nicotinic receptors is considered to be one of the most promising approaches for the treatment of Alzheimer's disease. However, the exact localization of the allosteric binding site and the potentiation mechanism at the molecular level are presently unknown. We have performed the "blind docking" of three known allosteric modulators (galanthamine, codeine and eserine) with the Acetylcholine Binding Protein and models of human alpha7, alpha3beta4 and alpha4beta2 nicotinic receptors, created by homology modeling. Three putative binding sites were identified in the channel pore, each one showing different affinities for the ligands. One of these sites is localized opposite to the agonist binding site and is probably implicated in the potentiation process. On the basis of these results, a possible mechanism for nicotinic acetylcholine receptor (nAChRs) activation is proposed. The present findings may represent an important advance for understanding the allosteric modulation mechanism of nAChRs. [Figure: see text].
Indexed as
Identifiers
What OpenQuestion holds
Registered trials
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.