ArticleScientific reports2016
Predictive modeling targets thymidylate synthase ThyX in Mycobacterium tuberculosis.
Article in Scientific reports, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.
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Who cites it
13 citing papers in PubMed, 33 citations in OpenAlex.
- Addressing infectious diseases in Africa by accelerating drug discovery through data science.Communications medicine · 2025Review
- Carglumic acid and mesalazine as potential anti-mycobacterial agents: a spectroscopic study for repurposing drugs againstMicrobiology spectrum · 2025Article
- Advances in computational frameworks in the fight against TB: The way forward.Frontiers in pharmacology · 2023Review
- Machine Learning Models forMolecular pharmaceutics · 2022Article
- Drug Discovery forInternational journal of molecular sciences · 2021Review
- Mechanism of Naphthoquinone Selectivity of Thymidylate Synthase ThyX.Biophysical journal · 2020Article
- Potential anti-TB investigational compounds and drugs with repurposing potential in TB therapy: a conspectus.Applied microbiology and biotechnology · 2020Review
- Mycobacterium tuberculosis thymidylate synthase (ThyX) is a target for plumbagin, a natural product with antimycobacterial activity.PloS one · 2020Article
- Analysis of mutations leading to para-aminosalicylic acid resistance in Mycobacterium tuberculosis.Scientific reports · 2019Article
- Comparing and Validating Machine Learning Models for Mycobacterium tuberculosis Drug Discovery.Molecular pharmaceutics · 2018Article
- Unique Features and Anti-microbial Targeting of Folate- and Flavin-Dependent Methyltransferases Required for Accurate Maintenance of Genetic Information.Frontiers in microbiology · 2018Review
- Learning from the past for TB drug discovery in the future.Drug discovery today · 2017Review
- Collaborative drug discovery for More Medicines for Tuberculosis (MM4TB).Drug discovery today · 2017Review
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Authors and funding
14 authors at 7 institutions in 5 countries.
Funding
Abstract
There is an urgent need to identify new treatments for tuberculosis (TB), a major infectious disease caused by Mycobacterium tuberculosis (Mtb), which results in 1.5 million deaths each year. We have targeted two essential enzymes in this organism that are promising for antibacterial therapy and reported to be inhibited by naphthoquinones. ThyX is an essential thymidylate synthase that is mechanistically and structurally unrelated to the human enzyme. DNA gyrase is a DNA topoisomerase present in bacteria and plants but not animals. The current study set out to understand the structure-activity relationships of these targets in Mtb using a combination of cheminformatics and in vitro screening. Here, we report the identification of new Mtb ThyX inhibitors, 2-chloro-3-(4-methanesulfonylpiperazin-1-yl)-1,4-dihydronaphthalene-1,4-dione) and idebenone, which show modest whole-cell activity and appear to act, at least in part, by targeting ThyX in Mtb.
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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.