Evidence map›Paper›PMID 24903413›Full record

ArticleChemical biology & drug design2014

Computer-aided discovery of Trypanosoma brucei RNA-editing terminal uridylyl transferase 2 inhibitors.

Ozlem Demir, Mehdi Labaied, Chris Merritt, Ken Stuart, Rommie E Amaro

Abstract read
In one paragraph

Article in Chemical biology & drug design, 2014. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.

0numbers the graph read from it
0cells of the map it votes in
7citing 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

7 citing papers in PubMed.

  1. Article
  2. Review
  3. Article
  4. Article
  5. Knowledge-Based Methods To Train and Optimize Virtual Screening Ensembles.Journal of chemical information and modeling · 2016
    Article
  6. Article
  7. 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.

Ozlem DemirDepartment of Chemistry and Biochemistry, University of California, San Diego, La Jolla, CA, 92093, USA.
Mehdi Labaied
Chris Merritt
Ken Stuart
Rommie E Amaro

Funding

MITOCHONDRIAL DNA OF NORMAL AND MUTANT TRYPANOSOMESR01AI014102 · NIAID · SEATTLE CHILDREN'S HOSPITAL · PI KENNETH D STUART · 1985 to 2026
$20.9M
National Biomedical Computation Resource - Competitive Revision SupplementP41GM103426 · NIGMS · UNIVERSITY OF CALIFORNIA, SAN DIEGO · PI AMARO, ROMMIE E · 2012 to 2019
$14.0M
A Structural Systems Biology Approach to Drug DiscoveryDP2OD007237 · OD · UNIVERSITY OF CALIFORNIA, SAN DIEGO · PI AMARO, ROMMIE E · 2010 to 2015
$2.9M
Trypanosome Drug Development ConsortiumU01AI075641 · NIAID · SEATTLE BIOMEDICAL RESEARCH INSTITUTE · PI STUART, KENNETH D · 2007 to 2011
$2.1M
MITOCHONDRIAL DNA OF NORMAL AND MUTANT TRYPANOSOMESR37AI014102 · NIAID · SEATTLE BIOMEDICAL RESEARCH INSTITUTE · PI STUART, KENNETH D · 1992 to 2001
$971k
Towards a Structural Systems Biology Approach for Anti-Trypanosomal TherapeuticsK22AI081901 · NIAID · UNIVERSITY OF CALIFORNIA, SAN DIEGO · PI AMARO, ROMMIE E · 2010 to 2011
$270k
NIAID NIH HHS AI075641NIAID NIH HHS AI14102NIAID NIH HHS K22 AI081901NIAID NIH HHS K22-AI081901NIAID NIH HHS R01 AI014102NIAID NIH HHS R37 AI014102NIAID NIH HHS U01 AI075641NIGMS NIH HHS P41 GM103426NIH HHS DP2 OD007237NIH HHS DP2-OD007237
6 · The paper itself

Abstract

Human African trypanosomiasis (HAT) is a major health problem in sub-Saharan Africa caused by Trypanosoma brucei infection. Current HAT drugs are difficult to administer and not effective against all parasite species at different stages of the disease which indicates an unmet pharmaceutical need. TbRET2 is an indispensable enzyme for the parasite and is targeted here using a computational approach that combines molecular dynamics simulations and virtual screening. The compounds prioritized are then tested in T. brucei via Alamar blue cell viability assays. This work identified 20 drug-like compounds which are candidates for further testing in the drug discovery process.

Indexed as

Computer-Aided DesignDrug DiscoveryEnzyme InhibitorsHumansMolecular Docking SimulationMolecular Dynamics SimulationRNA NucleotidyltransferasesTrypanocidal AgentsTrypanosoma brucei bruceiTrypanosomiasis, AfricanEnzyme InhibitorsRNA NucleotidyltransferasesTrypanocidal AgentsUTP-RNA uridylyltransferaseHAThuman African trypanosomiasisRET2sleeping sicknessTrypanosoma bruceitrypanosomesTUTasevirtual screening

Identifiers

PMID24903413
PMCPMC4317284

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.