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Record W4396854525 · doi:10.1016/j.jbc.2024.107367

Kinetic comparison of all eleven viral polyprotein cleavage site processing events by SARS-CoV-2 main protease using a linked protein FRET platform

2024· article· en· W4396854525 on OpenAlexafffund
Calem Kenward, M. Vuckovic, Mark Paetzel, N.C.J. Strynadka

Bibliographic record

VenueJournal of Biological Chemistry · 2024
Typearticle
Languageen
FieldComputer Science
TopicComputational Drug Discovery Methods
Canadian institutionsSimon Fraser UniversityUniversity of British Columbia
FundersCanadian Institutes of Health ResearchKillam TrustsNatural Sciences and Engineering Research Council of CanadaUniversity of British ColumbiaCanada Research Chairs
KeywordsCleavage (geology)ProteaseFörster resonance energy transferSevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)VirologyCoronavirus disease 2019 (COVID-19)2019-20 coronavirus outbreakChemistryBiologyEnzymePhysicsFluorescenceBiochemistryMedicineInfectious disease (medical specialty)

Abstract

fetched live from OpenAlex

The main protease (M pro ) remains an essential therapeutic target for COVID-19 post infection intervention given its critical role in processing the majority of viral proteins encoded by the genome of SARS-CoV-2. Upon viral entry, the +ssRNA genome is translated into two long polyproteins (pp1a or the frameshift-dependent pp1ab) containing all the non-structural proteins (nsps) required by the virus for immune modulation, replication, and ultimately, virion assembly. Included among these nsps is the cysteine protease M pro (nsp5) which self-excises from the polyprotein, dimerizes, then consecutively cleaves 11 of the 15 cut site junctions found between each nsp within the polyprotein. Many structures of M pro (often bound to various inhibitor or peptide inhibitors) have been detailed recently, including structures of M pro bound to each of the polyprotein cleavage sequences, showing that M pro can accommodate a wide range of targets within its active site. However, to date, kinetic characterization of the interaction of M pro with each of its native cut site sequences remains incomplete. Here we present a robust and cost-effective FRET based system that benefits from a more consistent presentation of the substrate that is also closer in organization to the native polyprotein environment compared to previously reported FRET systems that employ chemically modified peptides. Using this system, we were able to show that while each site maintains a similar Michaelis constant, the catalytic efficiency of M pro varies greatly between cut site sequences, suggesting a clear preference for the order of nsp processing.

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)0.000
Version: codex-gemma-dda1882f352aValidation 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 score0.157
Threshold uncertainty score0.806

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0010.000
Research integrity0.0000.001
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 head0.074
GPT teacher head0.360
Teacher spread0.286 · 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.

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

Citations14
Published2024
Admission routes2
Has abstractyes

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