Evidence map›Paper›PMID 29125553›Full record

ArticleMolecules (Basel, Switzerland)2017

Structure-Based Design of Potent and Selective Ligands at the Four Adenosine Receptors.

Willem Jespers, Ana Oliveira, Rubén Prieto-Díaz, María Majellaro, Johan Åqvist, Eddy Sotelo, Hugo Gutiérrez-de-Terán

Abstract read
In one paragraph

Article in Molecules (Basel, Switzerland), 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 17 papers.

0numbers the graph read from it
0cells of the map it votes in
17citing 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

17 citing papers in PubMed.

  1. Article
  2. Article
  3. Review
  4. Article
  5. Alchemical Free Energy Calculations on Membrane-Associated Proteins.Journal of chemical theory and computation · 2023
    Review
  6. First Potent Macrocyclic AACS pharmacology & translational science · 2023
    Article
  7. Article
  8. Article
  9. Article
  10. Article
  11. Review
  12. Review
  13. X-Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of AAngewandte Chemie (International ed. in English) · 2020
    Article
  14. Article
  15. Review
  16. Article
  17. Frontiers in Computational Chemistry for Drug Discovery.Molecules (Basel, Switzerland) · 2018
    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

7 authors.

Willem JespersDepartment of Cell and Molecular Biology, Uppsala University, Biomedical Centre (BMC), BOX 596, SE-751 24 Uppsala, Sweden. willem.jespers@icm.uu.se.
Ana OliveiraDepartment of Cell and Molecular Biology, Uppsala University, Biomedical Centre (BMC), BOX 596, SE-751 24 Uppsala, Sweden. analuisa.novodeoliveira@icm.uu.se.
Rubén Prieto-DíazCentro Singular Investigación Quimica Biologica e Materiales Moleculares (CIQUS), Departamento de Quimica Orgánica, Facultade de Farmacia, Universidade de Santiago de Compostela, 15782 Santiago de Compostela, Spain. rupridi@gmail.com.
María MajellaroCentro Singular Investigación Quimica Biologica e Materiales Moleculares (CIQUS), Departamento de Quimica Orgánica, Facultade de Farmacia, Universidade de Santiago de Compostela, 15782 Santiago de Compostela, Spain. maria.majellaro@uniba.it.
Johan ÅqvistDepartment of Cell and Molecular Biology, Uppsala University, Biomedical Centre (BMC), BOX 596, SE-751 24 Uppsala, Sweden. johan.aqvist@icm.uu.se.
Eddy SoteloCentro Singular Investigación Quimica Biologica e Materiales Moleculares (CIQUS), Departamento de Quimica Orgánica, Facultade de Farmacia, Universidade de Santiago de Compostela, 15782 Santiago de Compostela, Spain. e.sotelo@usc.es.ORCID 0000-0001-5571-2812
Hugo Gutiérrez-de-TeránDepartment of Cell and Molecular Biology, Uppsala University, Biomedical Centre (BMC), BOX 596, SE-751 24 Uppsala, Sweden. hugo.gutierrez@icm.uu.se.ORCID 0000-0003-0459-3491

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The four receptors that signal for adenosine, A₁, A

Indexed as

LigandsMolecular Dynamics SimulationMutationPurinergic P1 Receptor AntagonistsReceptors, Purinergic P1StereoisomerismThermodynamicsXanthines1,3-dipropyl-8-cyclopentylxanthineLigandsPurinergic P1 Receptor AntagonistsReceptors, Purinergic P1Xanthinesfree energy perturbation (FEP)G protein-coupled receptors (GPCRs)molecular dynamics (MD) simulationsstructure-based drug design (SBDD)

Identifiers

PMID29125553
PMCPMC6150288

What OpenQuestion 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 OpenQuestion graph.