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Record W4403571486 · doi:10.1101/2024.10.18.618978

Discovery of broad-spectrum bacterial polyamine detoxification inhibitors as potential antivirulence agents and antibiotic adjuvants

2024· preprint· en· W4403571486 on OpenAlexaff
Peri B. Moulding, Ronald S. Flannagan, Ahmed M. Soliman, Wael Elhenawy, David E. Heinrichs, Omar M. El-Halfawy

Bibliographic record

VenuebioRxiv (Cold Spring Harbor Laboratory) · 2024
Typepreprint
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicPolyamine Metabolism and Applications
Canadian institutionsWomen and Children’s Health Research InstituteUniversity of AlbertaAlberta Biodiversity Monitoring InstituteWestern UniversityUniversity of Regina
Fundersnot available
KeywordsBroad spectrumDetoxification (alternative medicine)AntibioticsMicrobiologyPolyamineChemistryComputational biologyBiologyCombinatorial chemistryBiochemistryMedicine

Abstract

fetched live from OpenAlex

Abstract The alarming rise in antimicrobial resistance reinforces an urgent need for new antimicrobial strategies. Chemicals at infection sites, such as polyamines, often influence microbial virulence and antibiotic response. Polyamines are cationic small molecules overproduced by the host during infection, modulating immune responses—the ability of several pathogens to detoxify polyamines correlated with hypervirulence. We sought to uncover inhibitors of polyamine detoxification through a high-throughput whole-cell screen against the community-acquired methicillin-resistant Staphylococcus aureus USA300, identifying the polyamine analog OES2-0017. This inhibitor synergized with polyamines at the low micromolar range, inhibiting a polyamine detoxification spermine/spermidine acetyltransferase SSAT (SpeG) and another previously uncharacterized S. aureus SSAT (denoted PaiA Sa herein). OES2-0017 showed growth-inhibitory effects at higher concentrations, perturbing the bacterial membrane with no detectable effects against eukaryotic membranes at the same concentration range. OES2-0017 showed similar broad-spectrum activities against various Gram-positive and Gram-negative pathogens. OES2-0017 abolished the polyamine-mediated resistance to antibiotics, including vancomycin, in MRSA USA300, phenocopying the Δ speG mutant and suggesting its potential utility as an antibiotic adjuvant. OES2-0017 eradicated SpeG-expressing Salmonella Typhimurium inside murine macrophages, suggesting its potential as an antivirulence agent. Small-scale structure-activity relationship, eukaryotic toxicity, and enzymatic inhibition against the human SSAT (SAT1) assays identified analogs with higher bacterial enzyme specificity and no toxicity at the antimicrobial range. Our screen also uncovered additional inhibitors, including the catechol derivative isoproterenol (OES1-1087), showing a similar mode of action and activity as OES2-0017 but with lower potency. This study provides novel antimicrobial compounds with broad-spectrum activity and a novel mode of action for multidrug-resistant priority pathogens.

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 score0.001
Threshold uncertainty score0.003

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)0.0010.000

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 head0.007
GPT teacher head0.223
Teacher spread0.216 · 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

Citations1
Published2024
Admission routes1
Has abstractyes

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