ArticleScience (New York, N.Y.)2022
Structure-based discovery of nonopioid analgesics acting through the α
Abstract read
In one paragraph
Article in Science (New York, N.Y.), 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 82 papers, 1 of them a synthesis that pooled it.
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82citing papers in PubMed, 1 pooled it
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What it found
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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
82 citing papers in PubMed, 1 synthesis or guideline pooled it.
- Pooled it
- Article
- Article
- Article
- Structure based discovery of antipsychotic-like TAAR1 agonists.Nature communications · 2026Article
- Article
- Chemical Distance-Based Acceleration of Large Library Docking with ChemSTEP.ACS central science · 2026Article
- De novo design of miniproteins targeting GPCRs.Nature · 2026Article
- Modeling the Sensitivity of Large-Scale Virtual Screening to Scoring Function Accuracy, Artifacts, and Library Composition.Journal of chemical information and modeling · 2026Article
- Discovery of a peripherally restricted αCell reports. Medicine · 2026Article
- V-SYNTHES2-the next generation tool for structure-based virtual screening of giga-scale chemical spaces.npj drug discovery · 2026Article
- The Selectivity Implications of Docking Libraries with Greater and Lesser Similarities to Bio-like Molecules.Journal of medicinal chemistry · 2026Article
- The identification of potent nonopioid analgesics and their potential for perioperative use.Proceedings of the National Academy of Sciences of the United States of America · 2026Article
- Low-intensity focused ultrasound-activated piezoelectric gel bandage for diabetic wound repair and neuropathic pain relief.Nature communications · 2026Article
- Large Library Docking for Polypharmacology.Journal of medicinal chemistry · 2026Article
- Discovery and dynamic pharmacology of μ-opioid receptor positive allosteric modulators.bioRxiv : the preprint server for biology · 2026Article
- The Role of Intrinsically Disordered Domains in Regulating G Protein-Coupled Receptor Signaling.Journal of the American Chemical Society · 2026Article
- Ultra-large virtual screening unveils potent agonists of the neuromodulatory orphan receptor GPR139.Nature communications · 2025Article
- Structural insights into endogenous agonist selectivity of aminergic receptors from the octopamine βPNAS nexus · 2025Article
- The neural circuits and signalling pathways of opioid use disorder.Nature reviews. Neuroscience · 2025Review
22 more citing papers are in PubMed but not listed here.
Corrections and comments
- Commented on by
Authors and funding
24 authors.
Elissa A Fink *Department of Pharmaceutical Chemistry, University of California, San Francisco, San Francisco, CA, USA.ORCID 0000-0001-5531-1971
Jun Xu *Kobilka Institute of Innovative Drug Discovery, School of Life and Health Sciences, Chinese University of Hong Kong, Shenzhen, Guangdong 518172, China.ORCID 0000-0002-1600-583X
Harald Hübner *Department of Chemistry and Pharmacy, Friedrich-Alexander-Universität Erlangen-Nürnberg, 91058 Erlangen, Germany.ORCID 0000-0002-7892-599X
Joao M Braz *Department of Anatomy, University of California, San Francisco, San Francisco, CA, USA.ORCID 0000-0001-8955-0735
Philipp Seemann *Department of Chemistry and Pharmacy, Friedrich-Alexander-Universität Erlangen-Nürnberg, 91058 Erlangen, Germany.ORCID 0000-0002-7575-2181
Charlotte AvetDepartment of Biochemistry and Molecular Medicine, Institute for Research in Immunology and Cancer, Université de Montréal, Montréal, QC, Canada.
Veronica CraikDepartment of Anatomy, University of California, San Francisco, San Francisco, CA, USA.ORCID 0000-0001-5463-1199
Dorothee WeikertDepartment of Chemistry and Pharmacy, Friedrich-Alexander-Universität Erlangen-Nürnberg, 91058 Erlangen, Germany.ORCID 0000-0003-2259-9002
Maximilian F SchmidtDepartment of Chemistry and Pharmacy, Friedrich-Alexander-Universität Erlangen-Nürnberg, 91058 Erlangen, Germany.ORCID 0000-0002-7055-2439
Chase M WebbDepartment of Pharmaceutical Chemistry, University of California, San Francisco, San Francisco, CA, USA.
Nataliya A TolmachovaEnamine Ltd., 02094 Kyiv, Ukraine.
Yurii S MorozNational Taras Shevchenko University of Kyiv, 01601 Kyiv, Ukraine.ORCID 0000-0001-6073-002X
Xi-Ping HuangNational Institute of Mental Health Psychoactive Drug Screening Program (NIMH PDSP), School of Medicine, University of North Carolina at Chapel Hill School of Medicine, Chapel Hill, NC, USA.ORCID 0000-0002-2585-653X
Chakrapani KalyanaramanDepartment of Pharmaceutical Chemistry, University of California, San Francisco, San Francisco, CA, USA.ORCID 0000-0002-5364-8797
Stefan GahbauerDepartment of Pharmaceutical Chemistry, University of California, San Francisco, San Francisco, CA, USA.ORCID 0000-0002-3115-9757
Geng ChenKobilka Institute of Innovative Drug Discovery, School of Life and Health Sciences, Chinese University of Hong Kong, Shenzhen, Guangdong 518172, China.
Zheng LiuKobilka Institute of Innovative Drug Discovery, School of Life and Health Sciences, Chinese University of Hong Kong, Shenzhen, Guangdong 518172, China.ORCID 0000-0002-3538-9349
Matthew P JacobsonDepartment of Pharmaceutical Chemistry, University of California, San Francisco, San Francisco, CA, USA.ORCID 0000-0001-6262-655X
John J IrwinDepartment of Pharmaceutical Chemistry, University of California, San Francisco, San Francisco, CA, USA.ORCID 0000-0002-1195-6417
Michel BouvierDepartment of Biochemistry and Molecular Medicine, Institute for Research in Immunology and Cancer, Université de Montréal, Montréal, QC, Canada.ORCID 0000-0003-1128-0100
Yang DuKobilka Institute of Innovative Drug Discovery, School of Life and Health Sciences, Chinese University of Hong Kong, Shenzhen, Guangdong 518172, China.ORCID 0000-0001-8107-6397
Brian K ShoichetDepartment of Pharmaceutical Chemistry, University of California, San Francisco, San Francisco, CA, USA.ORCID 0000-0002-6098-7367
Allan I BasbaumDepartment of Anatomy, University of California, San Francisco, San Francisco, CA, USA.ORCID 0000-0002-1710-6333
Peter GmeinerDepartment of Chemistry and Pharmacy, Friedrich-Alexander-Universität Erlangen-Nürnberg, 91058 Erlangen, Germany.ORCID 0000-0002-4127-197X
Funding
STRUCTURAL BIOLOGY TRAINING PROGRAMT32GM008284 · NIGMS · UNIVERSITY OF CALIFORNIA, SAN FRANCISCO · PI KORTEMME, TANJA · 1988 to 2022
$10.1MDevelopment and Testing of New Computational Methods for Ligand Discovery and MechanismR35GM122481 · NIGMS · UNIVERSITY OF CALIFORNIA, SAN FRANCISCO · PI Brian K Shoichet · 2017 to 2026
$8.5MFrom the spinal cord to the brain: Neurology of the pain and itch neuronsR35NS097306 · NINDS · UNIVERSITY OF CALIFORNIA, SAN FRANCISCO · PI BASBAUM, ALLAN I. · 2017 to 2024
$7.2MUltra-large library docking for ligand discoveryR01GM133836 · NIGMS · UNIVERSITY OF CALIFORNIA, SAN FRANCISCO · PI IRWIN, JOHN J. · 2019 to 2022
$1.6MNIGMS NIH HHS R01 GM133836NIGMS NIH HHS R35 GM122481NIGMS NIH HHS T32 GM008284NINDS NIH HHS R35 NS097306
Abstract
Because nonopioid analgesics are much sought after, we computationally docked more than 301 million virtual molecules against a validated pain target, the α
Indexed as
Adrenergic alpha-2 Receptor AgonistsAnalgesics, Non-NarcoticDrug DiscoveryPainPain ManagementAnimalsDexmedetomidineDrug DesignHumansLigandsMiceMolecular Docking SimulationStructure-Activity RelationshipAdrenergic alpha-2 Receptor AgonistsAnalgesics, Non-NarcoticDexmedetomidineLigands
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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.