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Record W3204052613 · doi:10.26434/chemrxiv.12369758.v1

Targeted Chemoenzymatic Synthesis of Sugar Nucleotide Probes Reveal an Inhibitor of the GDP-D-Mannose Dehydrogenase from Pseudomonas Aeruginosa

2020· preprint· en· W3204052613 on OpenAlexfundno aff
Laura Beswick, Eleni Dimitriou, Sanaz Ahmadipour, Ayesha Zafar, Martin Rejzek, Jóhannes Reynisson, Robert A. Field, Gavin J. Miller

Bibliographic record

VenueChemRxiv · 2020
Typepreprint
Languageen
FieldChemistry
TopicCarbohydrate Chemistry and Synthesis
Canadian institutionsnot available
FundersEngineering and Physical Sciences Research CouncilSwansea UniversityUniversity of AlbertaBiotechnology and Biological Sciences Research CouncilNational Marine Sanctuary FoundationUniversity of Missouri
KeywordsPseudomonas aeruginosaBiochemistryNucleotideMannoseGuanosineEnzymeMicrobiologyChemistryBiologyBacteriaGeneGenetics

Abstract

fetched live from OpenAlex

Sufferers of the autosomal recessive genetic disorder cystic fibrosis are at extremely high risk for contracting chronic lung infections. Over their lifetime one bacterial strain in particular, Pseudomonas aeruginosa , becomes the dominant pathogen. Bacterial strains incur loss-of-function mutations in the mucA gene that lead to a phenomenon known as mucoid conversion, resulting in copious secretion of alginate, a carbohydrate exopolysaccharide. Strategies that can stop the production of alginate in mucoid Pseudomonas aeruginosa infections are therefore of paramount importance. To aid in this we developed a series of sugar nucleotide chemical tools to probe an enzyme critical to alginate biosynthesis, guanosine diphosphate mannose dehydrogenase (GMD). This enzyme catalyses the irreversible formation of the alginate sugar nucleotide building block, guanosine diphosphate mannuronic acid. Using a chemoenzymatic strategy we accessed a series of modified sugar nucleotides, identifying a C6-amide derivative of the native substrate as a micromolar inhibitor of GMD. This discovery will provide a framework for wider inhibition strategies against GMD to be developed.

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 head0.017
GPT teacher head0.224
Teacher spread0.206 · 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

Citations0
Published2020
Admission routes1
Has abstractyes

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