ArticlePLoS computational biology2013
Target prediction for an open access set of compounds active against Mycobacterium tuberculosis.
Article in PLoS computational biology, 2013. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 29 papers.
What it found
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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.
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.
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Who cites it
29 citing papers in PubMed, 58 citations in OpenAlex.
- PPE50 variants as novel phylogeographic signatures of host-pathogen co-evolution in tuberculosis.Communications biology · 2025Article
- Structural chemistry and molecular-level interactome reveals histidine kinase EvgS to subvert both antimicrobial resistance and virulence in3 Biotech · 2022Article
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- The pursuit of mechanism of action: uncovering drug complexity in TB drug discovery.RSC chemical biology · 2021Article
- Probing Differences in Gene Essentiality Between the Human and Animal Adapted Lineages of theFrontiers in veterinary science · 2021Article
- Industry-scale application and evaluation of deep learning for drug target prediction.Journal of cheminformatics · 2020Article
- A platform for target prediction of phenotypic screening hit molecules.Journal of molecular graphics & modelling · 2020Article
- High-throughput metabolomic analysis predicts mode of action of uncharacterized antimicrobial compounds.Science translational medicine · 2018Article
- Orthologue chemical space and its influence on target prediction.Bioinformatics (Oxford, England) · 2018Article
- Structure based drug discovery for designing leads for the non-toxic metabolic targets in multi drug resistant Mycobacterium tuberculosis.Journal of translational medicine · 2017Article
- Predicting the Reliability of Drug-target Interaction Predictions with Maximum Coverage of Target Space.Scientific reports · 2017Article
- Target Identification ofFrontiers in pharmacology · 2017Article
- Open Source Drug Discovery: Highly Potent Antimalarial Compounds Derived from the Tres Cantos Arylpyrroles.ACS central science · 2016Article
- How Reliable Are Ligand-Centric Methods for Target Fishing?Frontiers in chemistry · 2016Article
- Activity, assay and target data curation and quality in the ChEMBL database.Journal of computer-aided molecular design · 2015Article
- PPDMs-a resource for mapping small molecule bioactivities from ChEMBL to Pfam-A protein domains.Bioinformatics (Oxford, England) · 2015Article
- Ligand-target prediction by structural network biology using nAnnoLyze.PLoS computational biology · 2015Article
- Mitochondrial targets for pharmacological intervention in human disease.Journal of proteome research · 2015Review
- Proteochemometric modelling coupled to in silico target prediction: an integrated approach for the simultaneous prediction of polypharmacology and binding affinity/potency of small molecules.Journal of cheminformatics · 2015Article
Corrections and comments
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Authors and funding
10 authors at 6 institutions in 3 countries.
Funding
Abstract
Mycobacterium tuberculosis, the causative agent of tuberculosis (TB), infects an estimated two billion people worldwide and is the leading cause of mortality due to infectious disease. The development of new anti-TB therapeutics is required, because of the emergence of multi-drug resistance strains as well as co-infection with other pathogens, especially HIV. Recently, the pharmaceutical company GlaxoSmithKline published the results of a high-throughput screen (HTS) of their two million compound library for anti-mycobacterial phenotypes. The screen revealed 776 compounds with significant activity against the M. tuberculosis H37Rv strain, including a subset of 177 prioritized compounds with high potency and low in vitro cytotoxicity. The next major challenge is the identification of the target proteins. Here, we use a computational approach that integrates historical bioassay data, chemical properties and structural comparisons of selected compounds to propose their potential targets in M. tuberculosis. We predicted 139 target--compound links, providing a necessary basis for further studies to characterize the mode of action of these compounds. The results from our analysis, including the predicted structural models, are available to the wider scientific community in the open source mode, to encourage further development of novel TB therapeutics.
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What OpenQuestion holds
Registered trials
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.