ArticleACS chemical biology2013
Conformation guides molecular efficacy in docking screens of activated β-2 adrenergic G protein coupled receptor.
Article in ACS chemical biology, 2013. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 49 papers, 1 of them a synthesis that pooled it.
What it found
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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
49 citing papers in PubMed, 1 synthesis or guideline pooled it, 110 citations in OpenAlex.
- Pooled it
- Library docking for Cannabinoid-2 Receptor ligands.bioRxiv : the preprint server for biology · 2026Article
- Large Library Docking for Polypharmacology.Journal of medicinal chemistry · 2026Article
- Towards Explainable Computational Toxicology: Linking Antitargets to Rodent Acute Toxicity.Pharmaceutics · 2025Article
- Orphan G protein-coupled receptors: the ongoing search for a home.Frontiers in pharmacology · 2024Review
- Identification of a β-arrestin-biased negative allosteric modulator for the βProceedings of the National Academy of Sciences of the United States of America · 2023Article
- Structure-based discovery of conformationally selective inhibitors of the serotonin transporter.Cell · 2023Article
- Structure-based discovery of nonopioid analgesics acting through the αScience (New York, N.Y.) · 2022Article
- Accelerating GPCR Drug Discovery With Conformation-Stabilizing VHHs.Frontiers in molecular biosciences · 2022Review
- BiasNet: A Model to Predict Ligand Bias Toward GPCR Signaling.Journal of chemical information and modeling · 2021Article
- Ligands of Adrenergic Receptors: A Structural Point of View.Biomolecules · 2021Review
- Discovery of Novel Allosteric Modulators Targeting an Extra-Helical Binding Site of GLP-1R Using Structure- and Ligand-Based Virtual Screening.Biomolecules · 2021Article
- Trends in application of advancing computational approaches in GPCR ligand discovery.Experimental biology and medicine (Maywood, N.J.) · 2021Review
- Statistics for the analysis of molecular dynamics simulations: providing P values for agonist-dependent GPCR activation.Scientific reports · 2020Article
- A Focus on Unusual ECL2 Interactions Yields βChemMedChem · 2020Article
- Performance of virtual screening against GPCR homology models: Impact of template selection and treatment of binding site plasticity.PLoS computational biology · 2020Article
- Exploring the molecular structures that confer ligand selectivity for galanin type II and III receptors.PloS one · 2020Article
- Discovery of β-arrestin-biased βActa pharmacologica Sinica · 2019Article
- DJournal of medicinal chemistry · 2019Article
- Recent advances in computational studies of GPCR-G protein interactions.Advances in protein chemistry and structural biology · 2019Review
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
9 authors at 4 institutions in 1 country.
Funding
Abstract
A prospective, large library virtual screen against an activated β2-adrenergic receptor (β2AR) structure returned potent agonists to the exclusion of inverse-agonists, providing the first complement to the previous virtual screening campaigns against inverse-agonist-bound G protein coupled receptor (GPCR) structures, which predicted only inverse-agonists. In addition, two hits recapitulated the signaling profile of the co-crystal ligand with respect to the G protein and arrestin mediated signaling. This functional fidelity has important implications in drug design, as the ability to predict ligands with predefined signaling properties is highly desirable. However, the agonist-bound state provides an uncertain template for modeling the activated conformation of other GPCRs, as a dopamine D2 receptor (DRD2) activated model templated on the activated β2AR structure returned few hits of only marginal potency.
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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.