Evidence map›Paper›PMID 40623180›Full record

ArticleProceedings of the National Academy of Sciences of the United States of America2025

Structure-based discovery of positive allosteric modulators of the A

Anh T N Nguyen, Nicolas Panel, Duc Duy Vo, Bui San Thai, Ling Yeong Chia, Cam Sinh Lu, Shane D Hellyer, Monica Langiu, Manuela Jörg, Karen J Gregory and 6 more

Abstract read
In one paragraph

Article in Proceedings of the National Academy of Sciences of the United States of America, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.

0numbers the graph read from it
0cells of the map it votes in
3citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

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.

2 · The registry

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.

3 · Its place in the literature

Who cites it

3 citing papers in PubMed.

  1. Review
  2. From empirical screening to lipid trolling: the evolution of extrahelical allosteric modulators of AMedicinal chemistry research : an international journal for rapid communications on design and mechanisms of action of biologically active agents · 2026
    Review
  3. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

16 authors.

Anh T N Nguyen *Drug Discovery Biology Theme, Monash Institute of Pharmaceutical Sciences, Monash University, Parkville, VIC 3052, Australia.
Nicolas Panel *Science for Life Laboratory, Department of Cell and Molecular Biology, Uppsala University, Uppsala SE-751 24, Sweden.ORCID 0000-0001-8782-0586
Duc Duy VoDepartment of Chemistry-Biomedical Centre (BMC), Uppsala University, Uppsala SE-75123, Sweden.
Bui San ThaiDrug Discovery Biology Theme, Monash Institute of Pharmaceutical Sciences, Monash University, Parkville, VIC 3052, Australia.
Ling Yeong ChiaDrug Discovery Biology Theme, Monash Institute of Pharmaceutical Sciences, Monash University, Parkville, VIC 3052, Australia.
Cam Sinh LuDrug Discovery Biology Theme, Monash Institute of Pharmaceutical Sciences, Monash University, Parkville, VIC 3052, Australia.ORCID 0009-0005-1722-9877
Shane D HellyerDrug Discovery Biology Theme, Monash Institute of Pharmaceutical Sciences, Monash University, Parkville, VIC 3052, Australia.ORCID 0000-0003-0688-6060
Monica LangiuDrug Discovery Biology Theme, Monash Institute of Pharmaceutical Sciences, Monash University, Parkville, VIC 3052, Australia.ORCID 0000-0003-0719-8999
Manuela JörgMedicinal Chemistry Theme, Monash Institute of Pharmaceutical Sciences, Monash University, Parkville, VIC 3052, Australia.ORCID 0000-0002-3116-373X
Karen J GregoryDrug Discovery Biology Theme, Monash Institute of Pharmaceutical Sciences, Monash University, Parkville, VIC 3052, Australia.ORCID 0000-0002-3833-2137
Jan KihlbergDepartment of Chemistry-Biomedical Centre (BMC), Uppsala University, Uppsala SE-75123, Sweden.
Paul J WhiteDrug Discovery Biology Theme, Monash Institute of Pharmaceutical Sciences, Monash University, Parkville, VIC 3052, Australia.ORCID 0000-0002-7524-1808
Peter J ScammellsMedicinal Chemistry Theme, Monash Institute of Pharmaceutical Sciences, Monash University, Parkville, VIC 3052, Australia.
Arthur ChristopoulosDrug Discovery Biology Theme, Monash Institute of Pharmaceutical Sciences, Monash University, Parkville, VIC 3052, Australia.ORCID 0000-0003-4442-3294
Jens CarlssonScience for Life Laboratory, Department of Cell and Molecular Biology, Uppsala University, Uppsala SE-751 24, Sweden.ORCID 0000-0003-4623-2977
Lauren T MayDrug Discovery Biology Theme, Monash Institute of Pharmaceutical Sciences, Monash University, Parkville, VIC 3052, Australia.ORCID 0000-0002-4412-1707

Funding

Department of Education and Training | Australian Research Council (ARC) FT0100392Federal Government | Department of Health and Aged Care, Australian Government (DHAC) MRF2015957Federal Government | DHAC | National Health and Medical Research Council (NHMRC) APP1123722Federal Government | DHAC | National Health and Medical Research Council (NHMRC) APP2013629National Heart Foundation of Australia (Heart Foundation) 101857Olle Engkvist foundation 219-0154Swedish Research Council 2018-05973Swedish Research Council 2021-4186
6 · The paper itself

Abstract

Allosteric modulation of G protein-coupled receptors (GPCRs) is an exciting strategy for developing new therapeutic agents, and it has several advantages over more commonly used orthosteric drugs. Recently determined GPCR structures have revealed allosteric pockets facing the lipid bilayer, enabling rational drug design. Here, we develop a virtual screening strategy to discover ligands of extrahelical binding pockets and apply this approach to the adenosine A

Indexed as

Adenosine A1 Receptor AgonistsDrug DiscoveryReceptor, Adenosine A1Allosteric RegulationAllosteric SiteAnimalsBinding SitesCryoelectron MicroscopyHumansLigandsMolecular Docking SimulationAdenosine A1 Receptor AgonistsLigandsReceptor, Adenosine A1A1 adenosine receptorallosteric modulationdrug discoveryG protein–coupled receptorstructure-based virtual screening

Identifiers

PMID40623180
PMCPMC12280925

What Socratic holds

Textmetadata
LicenceCC BY
Read underepoch 390

Registered trials

None linked

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 Socratic graph.