Evidence map›Paper›PMID 36677547›Full record

ArticleMolecules (Basel, Switzerland)2023

Isomeric Activity Cliffs-A Case Study for Fluorine Substitution of Aminergic G Protein-Coupled Receptor Ligands.

Wojciech Pietruś, Rafał Kurczab, Dawid Warszycki, Andrzej J Bojarski, Jürgen Bajorath

Abstract read
In one paragraph

Article in Molecules (Basel, Switzerland), 2023. 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. Design, Synthesis, andACS omega · 2024
    Article
  2. Monofluoromethylation ofInternational journal of molecular sciences · 2023
    Review
  3. Tuning the Biological Activity of PI3KMolecules (Basel, Switzerland) · 2023
    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

5 authors.

Wojciech PietruśDepartment of Medicinal Chemistry, Maj Institute of Pharmacology, Polish Academy of Sciences, Smetna 12, 31-343 Krakow, Poland.ORCID 0000-0002-8563-7929
Rafał KurczabDepartment of Medicinal Chemistry, Maj Institute of Pharmacology, Polish Academy of Sciences, Smetna 12, 31-343 Krakow, Poland.ORCID 0000-0002-9555-3905
Dawid WarszyckiDepartment of Medicinal Chemistry, Maj Institute of Pharmacology, Polish Academy of Sciences, Smetna 12, 31-343 Krakow, Poland.ORCID 0000-0002-2393-4709
Andrzej J BojarskiDepartment of Medicinal Chemistry, Maj Institute of Pharmacology, Polish Academy of Sciences, Smetna 12, 31-343 Krakow, Poland.ORCID 0000-0003-1417-6333
Jürgen BajorathDepartment of Life Science Informatics, LIMES Program Unit Chemical Biology and Medicinal Chemistry, B-IT, Rheinische Friedrich-Wilhelms-Universität, Friedrich-Hirzebruch-Allee 6, D-53115 Bonn, Germany.ORCID 0000-0002-0557-5714

Funding

The National Science Centre, Poland 2019/35/N/NZ7/04312
6 · The paper itself

Abstract

Currently, G protein-coupled receptors (GPCRs) constitute a significant group of membrane-bound receptors representing more than 30% of therapeutic targets. Fluorine is commonly used in designing highly active biological compounds, as evidenced by the steadily increasing number of drugs by the Food and Drug Administration (FDA). Herein, we identified and analyzed 898 target-based F-containing isomeric analog sets for SAR analysis in the ChEMBL database-F

Indexed as

FluorineMolecular Dynamics SimulationIsomerismLigandsMolecular Docking SimulationProtein BindingReceptors, G-Protein-CoupledFluorineLigandsReceptors, G-Protein-CoupledACactivity cliffsChEMBLfluorineGPCRG protein-coupled receptorinduced fit dockingMDMMPQPLD

Identifiers

PMID36677547
PMCPMC9863698

What OpenQuestion holds

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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.