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Record W4416139209 · doi:10.26434/chemrxiv-2025-28njv

Electronically tuned N-terminal glycine selective bioconjugation enables in vitro and in vivo species-specific Staphylococcus aureus targeting

2025· article· W4416139209 on OpenAlexaff
Mohan Kumar, Divya Bindra, Ashish Verma, Sisir Kumar Patra, Drishiya Vats, A. S. Kaveri, Nikita Sharma, K Tyagi, Rahul Maitra, Kamal Vats, Manoj V. Mane, Sidharth Chopra, Ram Kumar Mishra, Vishal Rai

Bibliographic record

VenueChemRxiv · 2025
Typearticle
Language
FieldBiochemistry, Genetics and Molecular Biology
TopicBiochemical and Structural Characterization
Canadian institutionsOptech (Canada)
FundersScience and Engineering Research BoardIndian Institute of Science Education and Research Bhopal
KeywordsBioconjugationIn vivoStaphylococcus aureusIn vitroPeptidoglycanBiofilmGlycine

Abstract

fetched live from OpenAlex

Precisely targeting a biomolecule within living systems could create unique opportunities at the biology-medicine interface. Such methods have been non-trivial due to the complex selectivity attributes. Here, we introduce an electronically tunable chemical technology that targets N-terminal glycine, a unique low-frequency molecular signature. Initially, we established the method using peptides and proteins, along with DFT-led mechanistic insights. The reactivity, selectivity, and bioconjugate stability remain unaffected by diverse bioadditives. These unique attributes enabled the selective targeting of the Gly5-based molecular signature in Staphylococcus aureus, a leading contributor to bacterial infection-associated mortality. Notably, the method facilitates species-specific detection of S. aureus and its resistant strains, MRSA and VRSA. It enables late-stage bond-engineering to install multiple biorthogonal handles, downstream chemistry, and chemically orthogonal reversal. The specificity extends to in vivo labeling of S. aureus within Drosophila melanogaster, as well as skin, tissue, and blood infections in mice. The N-Gly modification inhibits drug-susceptible and drug-resistant clinical strains of S. aureus, including biofilm formation and preformed biofilms. Finally, the in vivo efficiency was established using a wound-healing assay in mice. The exclusive N-Gly residue-specific targeting across the molecular complexity spectrum, both in vitro and in vivo, establishes peptidoglycan as a potential diagnostic and therapeutic target.

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 score0.016
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
Bibliometrics0.0000.001
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0010.000
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 head0.005
GPT teacher head0.215
Teacher spread0.210 · 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

Citations0
Published2025
Admission routes1
Has abstractyes

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