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Record W4391686326 · doi:10.1021/acs.jmedchem.3c01643

Azetidines Kill Multidrug-Resistant <i>Mycobacterium tuberculosis</i> without Detectable Resistance by Blocking Mycolate Assembly

2024· article· en· W4391686326 on OpenAlexaff
Yixin Cui, Alice Lanne, Xudan Peng, Edward P. Browne, Apoorva Bhatt, Nicholas J. Coltman, Philip G. E. Craven, Liam R. Cox, Nicholas J. Cundy, Katie Dale, Antonio Feula, Jon Frampton, Martin Fung, Michael J. Morton, Aaron Goff, Mariwan Salih, Xingfen Lang, Xingjian Li, Chris Moon, Jordan Pascoe, Vanessa Portman, Cara Press, Timothy Schulz-Utermoehl, Suki Lee, Micky D. Tortorella, Zhengchao Tu, Zoe Underwood, Changwei Wang, Akina Yoshizawa, Tianyu Zhang, Simon J. Waddell, Joanna Bacon, Luke J. Alderwick, John Fossey, Cléopatra Neagoie

Bibliographic record

VenueJournal of Medicinal Chemistry · 2024
Typearticle
Languageen
FieldMedicine
TopicTuberculosis Research and Epidemiology
Canadian institutionsDiscovery Centre
FundersNational Key Research and Development Program of ChinaEngineering and Physical Sciences Research CouncilEPSRC Centre for Doctoral Training in Additive ManufacturingGuangzhou Institutes of Biomedicine and Health, Chinese Academy of SciencesNational Centre for the Replacement Refinement and Reduction of Animals in ResearchMedical Research CouncilChinese Academy of SciencesPublic Health EnglandNational Centre for the Replacement, Refinement and Reduction of Animals in Research
KeywordsMycobacterium tuberculosisTuberculosisMode of actionMultiple drug resistanceMicrobiologyDrug resistanceAntibioticsDrugMycolic acidChemistryMycobacteriumBiologyPharmacologyMedicineBiochemistry

Abstract

fetched live from OpenAlex

High Resolution Image Download MS PowerPoint Slide Tuberculosis (TB) is the leading cause of global morbidity and mortality resulting from infectious disease, with over 10.6 million new cases and 1.4 million deaths in 2021. This global emergency is exacerbated by the emergence of multidrug-resistant MDR-TB and extensively drug-resistant XDR-TB; therefore, new drugs and new drug targets are urgently required. From a whole cell phenotypic screen, a series of azetidines derivatives termed BGAz, which elicit potent bactericidal activity with MIC 99 values <10 μM against drug-sensitive Mycobacterium tuberculosis and MDR-TB, were identified. These compounds demonstrate no detectable drug resistance. The mode of action and target deconvolution studies suggest that these compounds inhibit mycobacterial growth by interfering with cell envelope biogenesis, specifically late-stage mycolic acid biosynthesis. Transcriptomic analysis demonstrates that the BGAz compounds tested display a mode of action distinct from the existing mycobacterial cell wall inhibitors. In addition, the compounds tested exhibit toxicological and PK/PD profiles that pave the way for their development as antitubercular chemotherapies.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.002
Threshold uncertainty score0.006

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0020.001

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.011
GPT teacher head0.299
Teacher spread0.287 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
Domainnot available
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations8
Published2024
Admission routes1
Has abstractyes

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Same venueJournal of Medicinal ChemistrySame topicTuberculosis Research and EpidemiologyFrench-language works237,207