Evidence map›Paper›PMID 21744154›Full record

ArticleJournal of computer-aided molecular design2011

In silico identification of new ligands for GPR17: a promising therapeutic target for neurodegenerative diseases.

Ivano Eberini, Simona Daniele, Chiara Parravicini, Cristina Sensi, Maria L Trincavelli, Claudia Martini, Maria P Abbracchio

Abstract readValidation Study
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In one paragraph

Article in Journal of computer-aided molecular design, 2011. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 24 papers.

0numbers the graph read from it
0cells of the map it votes in
24citing 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

24 citing papers in PubMed.

  1. AnCurrent drug discovery technologies · 2025
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  17. Computational approaches in target identification and drug discovery.Computational and structural biotechnology journal · 2016
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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.

Ivano EberiniGruppo di Studio per la Proteomica e la Struttura delle Proteine, Dipartimento di Scienze Farmacologiche, Università degli Studi di Milano, Italy. ivano.eberini@gmail.com
Simona Daniele
Chiara Parravicini
Cristina Sensi
Maria L Trincavelli
Claudia Martini
Maria P Abbracchio

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

GPR17, a previously orphan receptor responding to both uracil nucleotides and cysteinyl-leukotrienes, has been proposed as a novel promising target for human neurodegenerative diseases. Here, in order to specifically identify novel potent ligands of GPR17, we first modeled in silico the receptor by using a multiple template approach, in which extracellular loops of the receptor, quite complex to treat, were modeled making reference to the most similar parts of all the class-A GPCRs crystallized so far. A high-throughput virtual screening exploration of GPR17 binding site with more than 130,000 lead-like compounds was then applied, followed by the wet functional and pharmacological validation of the top-scoring chemical structures. This approach revealed successful for the proposed aim, and allowed us to identify five agonists or partial agonists with very diverse chemical structure. None of these compounds could have been expected 'a priori' to act on a GPCR, and all of them behaved as much more potent ligands than GPR17 endogenous activators.

Indexed as

Models, MolecularBinding SitesCell Culture TechniquesComputational BiologyComputer SimulationDrug DiscoveryDrug Evaluation, PreclinicalHumansLigandsNeurodegenerative DiseasesReceptors, G-Protein-CoupledGPR17 protein, humanLigandsReceptors, G-Protein-Coupled

Identifiers

What OpenQuestion holds

Textmetadata
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.