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Discriminating agonist and antagonist ligands of the nuclear receptors using 3D-pharmacophores

Overview of attention for article published in Journal of Cheminformatics, September 2016
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  • Good Attention Score compared to outputs of the same age (65th percentile)
  • Average Attention Score compared to outputs of the same age and source

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Title
Discriminating agonist and antagonist ligands of the nuclear receptors using 3D-pharmacophores
Published in
Journal of Cheminformatics, September 2016
DOI 10.1186/s13321-016-0154-2
Pubmed ID
Authors

Nathalie Lagarde, Solenne Delahaye, Jean-François Zagury, Matthieu Montes

Abstract

Nuclear receptors (NRs) constitute an important class of therapeutic targets. We evaluated the performance of 3D structure-based and ligand-based pharmacophore models in predicting the pharmacological profile of NRs ligands using the NRLiSt BDB database. We could generate selective pharmacophores for agonist and antagonist ligands and we found that the best performances were obtained by combining the structure-based and the ligand-based approaches. The combination of pharmacophores that were generated allowed to cover most of the chemical space of the NRLiSt BDB datasets. By screening the whole NRLiSt BDB on our 3D pharmacophores, we demonstrated their selectivity towards their dedicated NRs ligands. The 3D pharmacophores herein presented can thus be used as a predictor of the pharmacological activity of NRs ligands.Graphical AbstractUsing a combination of structure-based and ligand-based pharmacophores, agonist and antagonist ligands of the Nuclear Receptors included in the NRLiSt BDB database could be separated.

X Demographics

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The data shown below were collected from the profiles of 6 X users who shared this research output. Click here to find out more about how the information was compiled.
Mendeley readers

Mendeley readers

The data shown below were compiled from readership statistics for 33 Mendeley readers of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
Unknown 33 100%

Demographic breakdown

Readers by professional status Count As %
Student > Master 7 21%
Student > Bachelor 4 12%
Researcher 4 12%
Student > Ph. D. Student 4 12%
Professor 3 9%
Other 4 12%
Unknown 7 21%
Readers by discipline Count As %
Chemistry 10 30%
Pharmacology, Toxicology and Pharmaceutical Science 4 12%
Biochemistry, Genetics and Molecular Biology 4 12%
Computer Science 2 6%
Engineering 2 6%
Other 3 9%
Unknown 8 24%
Attention Score in Context

Attention Score in Context

This research output has an Altmetric Attention Score of 4. This is our high-level measure of the quality and quantity of online attention that it has received. This Attention Score, as well as the ranking and number of research outputs shown below, was calculated when the research output was last mentioned on 08 September 2016.
All research outputs
#8,349,725
of 25,727,480 outputs
Outputs from Journal of Cheminformatics
#640
of 984 outputs
Outputs of similar age
#120,393
of 346,456 outputs
Outputs of similar age from Journal of Cheminformatics
#12
of 19 outputs
Altmetric has tracked 25,727,480 research outputs across all sources so far. This one has received more attention than most of these and is in the 67th percentile.
So far Altmetric has tracked 984 research outputs from this source. They typically receive a lot more attention than average, with a mean Attention Score of 10.1. This one is in the 34th percentile – i.e., 34% of its peers scored the same or lower than it.
Older research outputs will score higher simply because they've had more time to accumulate mentions. To account for age we can compare this Altmetric Attention Score to the 346,456 tracked outputs that were published within six weeks on either side of this one in any source. This one has gotten more attention than average, scoring higher than 65% of its contemporaries.
We're also able to compare this research output to 19 others from the same source and published within six weeks on either side of this one. This one is in the 36th percentile – i.e., 36% of its contemporaries scored the same or lower than it.