Evidence map›Paper›PMID 28921842›Full record

ArticleProtein science : a publication of the Protein Society2018

AnchorQuery: Rapid online virtual screening for small-molecule protein-protein interaction inhibitors.

David R Koes, Alexander Dömling, Carlos J Camacho

Abstract read
In one paragraph

Article in Protein science : a publication of the Protein Society, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 18 papers.

0numbers the graph read from it
0cells of the map it votes in
18citing 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

18 citing papers in PubMed.

  1. Article
  2. Article
  3. Review
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  6. Review
  7. Article
  8. Article
  9. Article
  10. The Groebke-Blackburn-Bienaymé Reaction.European journal of chemistry (Print) · 2019
    Article
  11. Article
  12. Article
  13. Review
  14. Design of indole- and MCR-based macrocycles as p53-MDM2 antagonists.Beilstein journal of organic chemistry · 2019
    Article
  15. Review
  16. Review
  17. Artificial Macrocycles.Synlett : accounts and rapid communications in synthetic organic chemistry · 2018
    Article
  18. Review
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

3 authors.

David R KoesDepartment of Computational and Systems Biology, University of Pittsburgh, Pittsburgh, Pennsylvania.
Alexander DömlingDepartment of Drug Design, University of Groningen, Groningen, The Netherlands.
Carlos J CamachoDepartment of Computational and Systems Biology, University of Pittsburgh, Pittsburgh, Pennsylvania.

Funding

Real-time discovery of inhibitors among billion compounds for preview and downloadR01GM097082 · NIGMS · UNIVERSITY OF PITTSBURGH AT PITTSBURGH · PI CAMACHO, CARLOS J. · 2011 to 2020
$2.5M
Methods, Tools and Resources for Interactive Online Virtual Screening and Lead OptimizationR01GM108340 · NIGMS · UNIVERSITY OF PITTSBURGH AT PITTSBURGH · PI KOES, DAVID RYAN · 2013 to 2020
$1.8M
NIGMS NIH HHS R01 GM097082NIGMS NIH HHS R01 GM108340
6 · The paper itself

Abstract

AnchorQuery (http://anchorquery.csb.pitt.edu) is a web application for rational structure-based design of protein-protein interaction (PPI) inhibitors. A specialized variant of pharmacophore search is used to rapidly screen libraries consisting of more than 31 million synthesizable compounds biased by design to preferentially target PPIs. Every library compound is accessible through one-step multi-component reaction (MCR) chemistry and contains an anchor motif that is bioisosteric to an amino acid residue. The inclusion of this anchor not only biases the compounds to interact with proteins, it also enables a rapid, sublinear time pharmacophore search algorithm. AnchorQuery provides all the tools necessary for users to perform online interactive virtual screens of millions of compounds, including pharmacophore elucidation and search, and enrichment analysis. Accessibility: AnchorQuery is freely accessible at http://anchorquery.csb.pitt.edu.

Indexed as

AlgorithmsDatabases, ProteinMolecular Docking SimulationSoftwareAmino Acid Motifscompound librariesmulticomponent reactionspharmacophoresmall-moleculesvirtual screening

Identifiers

PMID28921842
PMCPMC5734307

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.