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Record W4377104678 · doi:10.1021/acsomega.3c02259

Imidazopyridine Amides: Synthesis, <i>Mycobacterium smegmatis</i> CIII<sub>2</sub>CIV<sub>2</sub> Supercomplex Binding, and In Vitro Antimycobacterial Activity

2023· article· en· W4377104678 on OpenAlexafffund
Rana Abdelaziz, Justin M. Di Trani, Henok Sahile, Lea Mann, Adrian Richter, Zhongle Liu, Stephanie A. Bueler, Leah E. Cowen, John L. Rubinstein, Peter Imming

Bibliographic record

VenueACS Omega · 2023
Typearticle
Languageen
FieldMedicine
TopicMycobacterium research and diagnosis
Canadian institutionsUniversity of TorontoUniversity of British ColumbiaHospital for Sick Children
FundersCanadian Institutes of Health ResearchDeutscher Akademischer AustauschdienstCanada Research ChairsCanadian Institute for Advanced Research
KeywordsMycobacterium smegmatisAntimycobacterialIn vitroImidazopyridineMycobacterium tuberculosisChemistryMechanism of actionBiochemistryAmideStereochemistryTuberculosis

Abstract

fetched live from OpenAlex

High Resolution Image Download MS PowerPoint Slide Q203 (telacebec) is an imidazopyridine amide (IPA) targeting the respiratory CIII 2 CIV 2 supercomplex of the mycobacterial electron transport chain (ETC). Aiming for a better understanding of the molecular mechanism of action of IPA, 27 analogues were prepared through a seven-step synthetic scheme. Oxygen consumption assay was designed to test the inhibition of purified Mycobacterium smegmatis CIII 2 CIV 2 by these compounds. The assay results generally supported structure–activity relationship information obtained from the structure of M. smegmatis CIII 2 CIV 2 bound to Q203. The IC 50 of Q203 and compound 27 was 99 ± 32 and 441 ± 138 nM, respectively. All IPAs including Q203 showed no inhibition of mitochondrial ETC, proving their selectivity against mycobacteria. In vitro Mycobacterium tuberculosis growth inhibition and M. smegmatis CIII 2 CIV 2 binding did not correlate perfectly. These observations suggest that further investigation into the mechanisms of resistance in different mycobacterial species is needed to understand the lack of the correlation pattern between CIII 2 CIV 2 inhibition and cellular activity.

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 distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.001
metaresearch head score (Gemma)0.002
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow)
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 score0.193
Threshold uncertainty score0.999

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.002
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0020.000
Bibliometrics0.0010.002
Science and technology studies0.0000.000
Scholarly communication0.0000.001
Open science0.0000.001
Research integrity0.0010.001
Insufficient payload (model declined to judge)0.0000.001

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 head0.021
GPT teacher head0.267
Teacher spread0.246 · 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 teacher head, not a consensus.

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

Citations3
Published2023
Admission routes2
Has abstractyes

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