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Record W4388895540 · doi:10.1021/acsinfecdis.3c00286

Open Source Antibiotics: Simple Diarylimidazoles Are Potent against Methicillin-Resistant <i>Staphylococcus aureus</i>

2023· article· en· W4388895540 on OpenAlexfundno aff
Dana M. Klug, Edwin G. Tse, Daniel Gedder Silva, Yafeng Cao, Susan A. Charman, Jyoti . Chauhan, Elly Crighton, Maria Dichiara, Christopher L. Drake, David H. Drewry, Flávio da Silva Emery, Lori Ferrins, Lee M. Graves, Thomas A. C. Kresina, Álvaro Lorente‐Macías, Benjamin Perry, Richard P. Phipps, Bruno Quiroga, Antonio Quotadamo, G Sabatino, Andreas G. Schätzlein, Quillon J. Simpson, Jonathan Steele, Julia Shanu-Wilson, Peter Sjö, Paul Stapleton, Christopher J. Swain, Alexandra Vaideanu, Huanxu Xie, William J. Zuercher, Matthew H. Todd

Bibliographic record

VenueACS Infectious Diseases · 2023
Typearticle
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicCancer therapeutics and mechanisms
Canadian institutionsnot available
FundersDirektion für Entwicklung und ZusammenarbeitForeign, Commonwealth and Development OfficeGenentechUniversity of North Carolina at Chapel HillAgence Française de DéveloppementNational Institute of Allergy and Infectious DiseasesPharmaronMinisterio de Educación, Cultura y DeporteMonash UniversityOntario Genomics InstituteWellcome TrustUniversity College LondonEuropean Federation of Pharmaceutical Industries and AssociationsBayerDrugs for Neglected Diseases initiativeMerck KGaAOntario GenomicsAstraZenecaFundação de Amparo à Pesquisa do Estado de São PauloGenome CanadaMcGill UniversityBristol-Myers SquibbPfizerUniversity of QueenslandMédecins Sans Frontières
KeywordsMethicillin-resistant Staphylococcus aureusStaphylococcus aureusAntimicrobialAntibioticsMicrobiologyChemistryPotencyBiologyBacteriaIn vitroBiochemistry

Abstract

fetched live from OpenAlex

High Resolution Image Download MS PowerPoint Slide Antimicrobial resistance (AMR) is widely acknowledged as one of the most serious public health threats facing the world, yet the private sector finds it challenging to generate much-needed medicines. As an alternative discovery approach, a small array of diarylimidazoles was screened against the ESKAPE pathogens, and the results were made publicly available through the Open Source Antibiotics (OSA) consortium ( https://github.com/opensourceantibiotics ). Of the 18 compounds tested (at 32 μg/mL), 15 showed >90% growth inhibition activity against methicillin-resistant Staphylococcus aureus (MRSA) alone. In the subsequent hit-to-lead optimization of this chemotype, 147 new heterocyclic compounds containing the diarylimidazole and other core motifs were synthesized and tested against MRSA, and their structure–activity relationships were identified. While potent, these compounds have moderate to high intrinsic clearance and some associated toxicity. The best overall balance of parameters was found with OSA_975, a compound with good potency, good solubility, and reduced intrinsic clearance in rat hepatocytes. We have progressed toward the knowledge of the molecular target of these phenotypically active compounds, with proteomic techniques suggesting TGFBR1 is potentially involved in the mechanism of action. Further development of these compounds toward antimicrobial medicines is available to anyone under the licensing terms of the project.

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)0.000
metaresearch head score (Gemma)0.000
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 score0.334
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

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 science0.0010.001
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0000.000

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 head0.017
GPT teacher head0.278
Teacher spread0.261 · 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

Citations6
Published2023
Admission routes1
Has abstractyes

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