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Record W3036059081 · doi:10.1101/2020.06.18.160614

Mechanism and inhibition of SARS-CoV-2 PLpro

2020· preprint· en· W3036059081 on OpenAlexafffund
Theresa Klemm, Gregor Ebert, Dale J. Calleja, Cody C. Allison, Lachlan W. Richardson, Jonathan P. Bernardini, Bernadine G.C. Lu, Nathan W. Kuchel, Christoph Grohmann, Y. Shibata, Zhong Yan Gan, James P. Cooney, Marcel Doerflinger, Amanda E. Au, T. Blackmore, Paul P. Geurink, Huib Ovaa, Janet Newman, Alan Riboldi‐Tunnicliffe, Peter E. Czabotar, Jeffrey P. Mitchell, Rebecca Feltham, Bernhard C. Lechtenberg, Kym N. Lowes, Grant Dewson, Marc Pellegrini, Guillaume Lessène, David Komander

Bibliographic record

VenuebioRxiv (Cold Spring Harbor Laboratory) · 2020
Typepreprint
Languageen
FieldImmunology and Microbiology
Topicinterferon and immune responses
Canadian institutionsCanada's Michael Smith Genome Sciences CentreUniversity of British Columbia
FundersNational Health and Medical Research CouncilMTPConnectTherapeutic Innovation AustraliaUniversity of TorontoAustralian SynchrotronAustralian Cancer Research FoundationAustralian GovernmentAustralian Nuclear Science and Technology Organisation
KeywordsISG15UbiquitinProteasesProteaseInnate immune systemBiologyChemistryDeubiquitinating enzymeBiochemistryViral replicationImmune systemVirologyVirusEnzymeGeneticsGene

Abstract

fetched live from OpenAlex

Abstract Coronaviruses, including SARS-CoV-2, encode multifunctional proteases that are essential for viral replication and evasion of host innate immune mechanisms. The papain-like protease PLpro cleaves the viral polyprotein, and reverses inflammatory ubiquitin and anti-viral ubiquitin-like ISG15 protein modifications 1,2 . Drugs that target SARS-CoV-2 PLpro (hereafter, SARS2 PLpro) may hence be effective as treatments or prophylaxis for COVID-19, reducing viral load and reinstating innate immune responses 3 . We here characterise SARS2 PLpro in molecular and biochemical detail. SARS2 PLpro cleaves Lys48-linked polyubiquitin and ISG15 modifications with high activity. Structures of PLpro bound to ubiquitin and ISG15 reveal that the S1 ubiquitin binding site is responsible for high ISG15 activity, while the S2 binding site provides Lys48 chain specificity and cleavage efficiency. We further exploit two strategies to target PLpro. A repurposing approach, screening 3727 unique approved drugs and clinical compounds against SARS2 PLpro, identified no compounds that inhibited PLpro consistently or that could be validated in counterscreens. More promisingly, non-covalent small molecule SARS PLpro inhibitors were able to inhibit SARS2 PLpro with high potency and excellent antiviral activity in SARS-CoV-2 infection models.

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 score0.006
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.001
Research integrity0.0010.001
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 head0.024
GPT teacher head0.239
Teacher spread0.214 · 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

Citations15
Published2020
Admission routes2
Has abstractyes

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