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Record W4318141890 · doi:10.1021/acsptsci.2c00219

Signaling Modulation via Minimal C-Terminal Modifications of Apelin-13

2023· article· en· W4318141890 on OpenAlex
Léa Théroux, Robin Van Den Hauwe, Kien Trân, Justin Fournier, Michael Desgagné, Nathan Meneboo, Alexis Lavallée, Ulrike Fröhlich, Jérôme Côté, Charlie Hollanders, Jean‐Michel Longpré, Alexandre Murza, Éric Marsault, Philippe Sarret, Pierre‐Luc Boudreault, Steven Ballet

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.
fundA Canadian funder is recorded on the work.

Bibliographic record

VenueACS Pharmacology & Translational Science · 2023
Typearticle
Languageen
FieldMedicine
TopicApelin-related biomedical research
Canadian institutionsUniversité de Sherbrooke
FundersCanadian Institutes of Health ResearchFonds de Recherche du Québec - SantéFonds de recherche du Québec – Nature et technologiesVrije Universiteit BrusselCanada Foundation for InnovationUniversité de Sherbrooke
KeywordsApelinChemistryAllosteric regulationAgonistStereochemistryEC50Partial agonistLigand (biochemistry)AmideReceptorIn vivoAllosteric modulatorPotencyEndogenyBiophysicsIn vitroBiochemistryBiology

Abstract

fetched live from OpenAlex

Apelin is an endogenous peptide that is involved in many diseases such as cardiovascular diseases, obesity, and cancer, which has made it an attractive target for drug discovery. Herein, we explore the penultimate and final sequence positions of [Pyr 1 ]-apelin-13 (Ape13) via C-terminal N α -alkylated amide bonds and the introduction of positive charges, potentially targeting the allosteric sodium pocket, by assessing the binding affinity and signaling profiles at the apelin receptor (APJ). Synthetic analogues modified within this segment of Ape13 showed high affinity ( K i 0.12–0.17 nM vs Ape13 K i 0.7 nM), potent Gα i1 activation (EC 50 Gα i1 0.4–0.9 nM vs Ape13 EC 50 1.1 nM), partial agonist behavior disfavoring β-arrestin 2 recruitment for positively charged ligands (e.g., 49 ( SBL-AP-058 ), EC 50 β-arr2 275 nM, E max 54%) and high plasma stability for N -alkyl ligands ( t 1/2 > 7 h vs Ape13 t 1/2 0.5 h). Combining the benefits of the N α -alkylated amide bond with the guanidino substitution in a constrained ligand led to 63 ( SBL-AP-049 ), which displayed increased plasma stability ( t 1/2 5.3 h) and strong reduction of β-arrestin 2 signaling with partial maximal efficacy (EC 50 β-arr 864 nM, E max 48%), significantly reducing the hypotensive effect in vivo .

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.

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)0.001
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: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.875
Threshold uncertainty score0.662

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0010.003
Science and technology studies0.0000.001
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0010.000

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 head0.060
GPT teacher head0.406
Teacher spread0.346 · 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