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Record W2898642120 · doi:10.1002/prot.25607

Validation of chemical genetics for the study of zipper‐interacting protein kinase signaling

2018· article· en· W2898642120 on OpenAlexafffund
Abdulhameed Al‐Ghabkari, Lori D. Moffat, Michael P. Walsh, Justin A. MacDonald

Bibliographic record

VenueProteins Structure Function and Bioinformatics · 2018
Typearticle
Languageen
FieldPharmacology, Toxicology and Pharmaceutics
TopicBioactive Compounds and Antitumor Agents
Canadian institutionsUniversity of Calgary
FundersCanada Research ChairsCanadian Institutes of Health ResearchAlberta Innovates - Health Solutions
KeywordsKinasePhosphorylationBiologyCell biologyBiochemistryProtein kinase APlasma protein bindingDocking (animal)

Abstract

fetched live from OpenAlex

Abstract Zipper‐interacting protein kinase (ZIPK) is a Ser/Thr kinase that mediates a variety of cellular functions. Analogue‐sensitive kinase technology was applied to the study of ZIPK signaling in coronary artery smooth muscle cells. ZIPK was engineered in the ATP‐binding pocket by substitution of a bulky gatekeeper amino acid (Leu93) with glycine. Cell‐permeable derivatives of pyrazolo[3,4‐d]pyrimidine provided effective inhibition of L93G‐ZIPK (1NM‐PP1, IC 50 , 1.0 μM; 3MB‐PP1, IC 50 , 2.0 μM; and 1NA‐PP1, IC 50 , 8.6 μM) but only 3MB‐PP1 had inhibitory potential (IC 50 > 10 μM) toward wild‐type ZIPK. Each of the compounds also attenuated Rho‐associated coiled‐coil containing protein kinase (ROCK) activity under experimental conditions found to be optimal for inhibition of L93G‐ZIPK. In silico molecular simulations showed effective docking of 1NM‐PP1 into ZIPK following mutational enlargement of the ATP‐binding pocket. Molecular simulation of 1NM‐PP1 docking in the ATP‐binding pocket of ROCK was also completed. The 1NM‐PP1 inhibitor was selected as the optimal compound for selective chemical genetics in smooth muscle cells since it displayed the highest potency for L93G‐ZIPK relative to WT‐ZIPK and the weakest off‐target effects against other relevant kinases. Finally, the 1NM‐PP1 and L93G‐ZIPK pairing was effectively applied in vascular smooth muscle cells to manipulate the phosphorylation level of LC20, a previously defined target of ZIPK.

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 score0.037
Threshold uncertainty score0.377

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 head0.079
GPT teacher head0.375
Teacher spread0.296 · 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
Published2018
Admission routes2
Has abstractyes

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