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Record W4405834389 · doi:10.1021/acs.jmedchem.4c02201

Development and Discovery of a Selective Degrader of Casein Kinases 1 δ/ε

2024· article· en· W4405834389 on OpenAlexfundno aff
Václav Němec, Pavlína Janovská, Jana Bartošíková, Bikash Adhikari, Juliane Müller, Martin P. Schwalm, Štěpán Čada, Uli Ohmayer, Henrik Daub, Yeojin Kim, Florian Born, Elmar Wolf, Vı́tězslav Bryja, Stefan Knapp

Bibliographic record

VenueJournal of Medicinal Chemistry · 2024
Typearticle
Languageen
FieldMedicine
TopicPeptidase Inhibition and Analysis
Canadian institutionsnot available
FundersStructural Genomics ConsortiumEuropean Research CouncilDeutsche KrebshilfeDeutsches KrebsforschungszentrumDeutsche ForschungsgemeinschaftGrantová Agentura České RepublikyInnovative Health Initiative
KeywordsChemistryKinaseCasein kinase 1CaseinBiochemistryProtein kinase A

Abstract

fetched live from OpenAlex

Members of the casein kinase 1 (CK1) family have emerged as key regulators of cellular signaling and as potential drug targets. Functional annotation of the 7 human isoforms would benefit from isoform-selective inhibitors, allowing studies on the role of these enzymes in normal physiology and disease pathogenesis. However, due to significant sequence homology within the catalytic domain, isoform selectivity is difficult to achieve with conventional small molecules. Here, we used a PROTAC (Proteolysis TArgeting Chimeras) approach to develop a highly selective degrader AH078 ( 37 ) targeting CK1δ and CK1ε with excellent selectivity over the highly related CK1α isoform. The developed PROTAC, AH078 ( 37 ) selectively degraded CK1δ and CK1ε with a DC 50 of 200 nM. Characterization of AH078 ( 37 ) revealed a VHL and Ubiquitin-dependent degradation mechanism. Thus, AH078 ( 37 ) represents a versatile chemical tool to study CK1δ and CK1ε function in cellular systems.

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 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 score0.004
Threshold uncertainty score0.246

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0000.000

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 head0.015
GPT teacher head0.283
Teacher spread0.268 · 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

Citations4
Published2024
Admission routes1
Has abstractyes

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