MétaCan
Menu
Back to cohort
Record W2562400104 · doi:10.1002/anie.201610816

Discovery of a PCAF Bromodomain Chemical Probe

2016· article· en· W2562400104 on OpenAlexafffund
Moses Moustakim, Peter G. K. Clark, Laura Trulli, Ángel L. Fuentes de Arriba, M.T. Ehebauer, A. Chaikuad, Emma J. Murphy, Jacqui Mendez‐Johnson, Danette L. Daniels, Chun-Feng David Hou, Yu‐Hui Lin, John R. Walker, Raymond Hui, Hongbing Yang, Lucy Dorrell, Catherine Rogers, Octovia Monteiro, Oleg Fedorov, K. Huber, Stefan Knapp, Jag Heer, Darren J. Dixon, Paul E. Brennan

Bibliographic record

VenueAngewandte Chemie International Edition · 2016
Typearticle
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicProtein Degradation and Inhibitors
Canadian institutionsStructural Genomics ConsortiumSimon Fraser University
FundersMinistero dello Sviluppo EconomicoFundação de Amparo à Pesquisa do Estado de São PauloEuropean Federation of Pharmaceutical Industries and AssociationsWellcome TrustEngineering and Physical Sciences Research CouncilGenome CanadaPfizer
KeywordsBromodomainPCAFChemistrySubfamilyBiochemistryMolecular biologyHistoneCancer researchBiologyGene

Abstract

fetched live from OpenAlex

The p300/CBP-associated factor (PCAF) and related GCN5 bromodomain-containing lysine acetyl transferases are members of subfamily I of the bromodomain phylogenetic tree. Iterative cycles of rational inhibitor design and biophysical characterization led to the discovery of the triazolopthalazine-based L-45 (dubbed L-Moses) as the first potent, selective, and cell-active PCAF bromodomain (Brd) inhibitor. Synthesis from readily available (1R,2S)-(-)-norephedrine furnished L-45 in enantiopure form. L-45 was shown to disrupt PCAF-Brd histone H3.3 interaction in cells using a nanoBRET assay, and a co-crystal structure of L-45 with the homologous Brd PfGCN5 from Plasmodium falciparum rationalizes the high selectivity for PCAF and GCN5 bromodomains. Compound L-45 shows no observable cytotoxicity in peripheral blood mononuclear cells (PBMC), good cell-permeability, and metabolic stability in human and mouse liver microsomes, supporting its potential for in vivo use.

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 score0.094
Threshold uncertainty score0.271

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 head0.009
GPT teacher head0.239
Teacher spread0.230 · 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

Citations91
Published2016
Admission routes2
Has abstractyes

Explore more

Same venueAngewandte Chemie International EditionSame topicProtein Degradation and InhibitorsFrench-language works237,207