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Record W4380893810 · doi:10.1002/alz.067392

Towards the development of a chemical probe targeting the disruption of SYK tandem SH2 domain and FCεR1γ interactions for Alzheimer’s disease

2023· article· en· W4380893810 on OpenAlexaff
Frances Potjewyd, V.L. Katis, Yuhong Du, W.J. Bradshaw, Arunima Sikdar, Felix Nwogbo, Dongxue Wang, Brian Hardy, Dmitri Kireev, Kenneth H. Pearce, Haian Fu, Stephen V. Frye, Alison D. Axtman

Bibliographic record

VenueAlzheimer s & Dementia · 2023
Typearticle
Languageen
FieldComputer Science
TopicComputational Drug Discovery Methods
Canadian institutionsStructural Genomics Consortium
Fundersnot available
KeywordsSykSH2 domainChemistryComputational biologyBiochemistryBiophysicsCell biologyTyrosine kinaseBiologyReceptor

Abstract

fetched live from OpenAlex

Abstract Background Spleen tyrosine kinase (SYK) and FCεR1γ were identified as targets for Alzheimer’s disease (AD) via multi‐omics human data by AMP‐AD teams. These proteins were selected for further target validation and medicinal chemistry efforts by members of the Target Enablement to Accelerate Therapy Development for Alzheimer’s Disease (TREAT‐AD) program. SYK has a reported role in AD (PMID: 31324720), and SYK activation can occur upon binding to the phospho‐ITAM region of the FCεR1γ receptor via the tandem SH2 domains (tSH2) of SYK (PMID: 29440271). Therefore, disruption of this interaction is proposed to slow AD related pathology. Through the generation of target enabling packages (TEPs) we aim to provide experimental validation of these targets for AD and develop a high‐quality chemical probe that targets this interaction. Method Firstly, tSH2 domains of SYK were purified, followed by crystallography of these tSH2 in the presence of phospho‐ITAM‐containing peptides. A TR‐FRET‐based assay was developed using the SYK tSH2 domain and phospho‐ITAM peptide of FCεR1γ. This assay was miniaturized for ultra‐high‐throughput screening (uHTS) of a screening library of compounds. In parallel, a DNA encoded library (DEL) screen was executed to identify compounds that bind the SYK tSH2 domain. The hits generated using these hit finding campaigns were validated in dose‐response and via orthogonal biophysical methods. Medicinal chemistry campaigns to expand upon these hits are underway. Result We have crystallography data of the SYK tSH2 domains bound to phospho‐ITAM peptides and have established a TR‐FRET based assay to identify inhibitors of the interaction between FCεR1γ and SYK. Hit compounds have been identified through uHTS and DEL screening methods. Further validation of these hits in orthogonal assays are underway, alongside medicinal chemistry efforts to identify more potent analogues. Conclusion Through the generation of a SYK/FCεR1γ TEP, we have provided the tools to allow for experimental validation of these target for AD and have begun to generate inhibitors of this interaction.

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 machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Simulation or modeling · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.001
Threshold uncertainty score0.005

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0010.001
Insufficient payload (model declined to judge)0.0010.001

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 head0.061
GPT teacher head0.337
Teacher spread0.276 · 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 source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designSimulation or modeling
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

Citations1
Published2023
Admission routes1
Has abstractyes

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