ArticleNature chemical biology2011
Ligand discovery from a dopamine D3 receptor homology model and crystal structure.
Article in Nature chemical biology, 2011. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 142 papers.
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.
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Who cites it
142 citing papers in PubMed, 302 citations in OpenAlex.
- Structure based discovery of antipsychotic-like TAAR1 agonists.Nature communications · 2026Article
- Predicting Ligand Binding Modes by Scaffold-Guided Structure Refinement.Journal of medicinal chemistry · 2026Article
- Structural insights enable drug discovery for the neuronal NBCn2 carbonate transporter.Nature communications · 2026Article
- Improving AlphaFold2 Performance in Virtual Screens Targeting GPCRs by Enhancing Binding-Site Conformational Sampling.Journal of chemical information and modeling · 2026Article
- Indole Scaffolds in Neurological Therapeutics: Synthesis, Structure- Activity Relationships and Drug-Receptor Interactions.Mini reviews in medicinal chemistry · 2026Review
- Protein Structural Model Selection Informed by Comparison of Predicted Ligand Binding Poses.Journal of chemical information and modeling · 2025Article
- Docking 14 Million Virtual Isoquinuclidines against the μ and κ Opioid Receptors Reveals Dual Antagonists-Inverse Agonists with Reduced Withdrawal Effects.ACS central science · 2025Article
- In Silico Conotoxin Studies: Progress and Prospects.Molecules (Basel, Switzerland) · 2024Review
- AlphaFold accelerated discovery of psychotropic agonists targeting the trace amine-associated receptor 1.Science advances · 2024Article
- The Art and Science of Molecular Docking.Annual review of biochemistry · 2024Review
- AlphaFold2 structures guide prospective ligand discovery.Science (New York, N.Y.) · 2024Article
- Structural insights into the potential binding sites of Cathepsin D using molecular modelling techniques.Amino acids · 2024Article
- Review on allosteric modulators of dopamine receptors so far.Health science reports · 2024Article
- Exploring Novel Antidepressants Targeting G Protein-Coupled Receptors and Key Membrane Receptors Based on Molecular Structures.Molecules (Basel, Switzerland) · 2024Review
- Orphan G protein-coupled receptors: the ongoing search for a home.Frontiers in pharmacology · 2024Review
- Article
- Quality Assessment of Selected Protein Structures Derived from Homology Modeling and AlphaFold.Pharmaceuticals (Basel, Switzerland) · 2023Article
- Substrate binding and inhibition of the anion exchanger 1 transporter.Nature structural & molecular biology · 2023Article
- Targeting SLC transporters: small molecules as modulators and therapeutic opportunities.Trends in biochemical sciences · 2023Review
- Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.Protein science : a publication of the Protein Society · 2023Article
82 more citing papers are in PubMed but not listed here.
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 3 institutions in 1 country.
Funding
Abstract
G protein-coupled receptors (GPCRs) are intensely studied as drug targets and for their role in signaling. With the determination of the first crystal structures, interest in structure-based ligand discovery increased. Unfortunately, for most GPCRs no experimental structures are available. The determination of the D(3) receptor structure and the challenge to the community to predict it enabled a fully prospective comparison of ligand discovery from a modeled structure versus that of the subsequently released crystal structure. Over 3.3 million molecules were docked against a homology model, and 26 of the highest ranking were tested for binding. Six had affinities ranging from 0.2 to 3.1 μM. Subsequently, the crystal structure was released and the docking screen repeated. Of the 25 compounds selected, five had affinities ranging from 0.3 to 3.0 μM. One of the new ligands from the homology model screen was optimized for affinity to 81 nM. The feasibility of docking screens against modeled GPCRs more generally is considered.
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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.