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Record W4401693954 · doi:10.1021/acsptsci.4c00236

Design, Synthesis, and <i>In Vitro</i> Characterization of Proteolytically-Stable Opioid-Neurotensin Hybrid Peptidomimetics

2024· article· en· W4401693954 on OpenAlex
Jolien De Neve, Émile Breault, Santo Previti, Esaü Vangeloven, Bobbi Loranger, Magali Chartier, Rebecca L. Brouillette, Annik Lanoie, Brian J. Holleran, Jean‐Michel Longpré, Louis Gendron, Dirk Tourwé, Philippe Sarret, 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 · 2024
Typearticle
Languageen
FieldNeuroscience
TopicNeuropeptides and Animal Physiology
Canadian institutionsUniversité de Sherbrooke
FundersFaculty of Medicine and Health, University of SydneyCanadian Institutes of Health ResearchNatural Sciences and Engineering Research Council of CanadaUniversité de SherbrookeVlaamse regeringVrije Universiteit BrusselFonds de Recherche du Québec - SantéFonds Wetenschappelijk OnderzoekCanada Research Chairs
KeywordsNeurotensinPeptidomimeticIn vitroCharacterization (materials science)ChemistryOpioidNeuropeptideMaterials scienceBiochemistryNanotechnologyPeptideReceptor

Abstract

fetched live from OpenAlex

High Resolution Image Download MS PowerPoint Slide Linking an opioid to a nonopioid pharmacophore represents a promising approach for reducing opioid-induced side effects during pain management. Herein, we describe the optimization of the previously reported opioid-neurotensin hybrids (OPNT-hybrids), SBL-OPNT-05 & -10, containing the μ-/δ-opioid agonist H-Dmt- d -Arg-Aba-β-Ala-NH 2 and NT(8–13) analogs optimized for NTS2 affinity. In the present work, the constrained dipeptide Aba-β-Ala was modified to investigate the optimal linker length between the two pharmacophores, as well as the effect of expanding the aromatic moiety within constrained dipeptide analogs, via the inclusion of a naphthyl moiety. Additionally, the N -terminal Arg residue of the NT(8–13) pharmacophore was substituted with β 3 h Arg. For all analogs, affinity was determined at the MOP, DOP, NTS1, and NTS2 receptors. Several of the hybrid ligands showed a subnanomolar affinity for MOP, improved binding for DOP compared to SBL-OPNT-05 & -10, as well as an excellent NTS2-affinity with high selectivity over NTS1. Subsequently, the G αi1 and β-arrestin-2 pathways were evaluated for all hybrids, along with their stability in rat plasma. Upon MOP activation, SBL-OPNT-13 and -18 were the least effective at recruiting β-arrestin-2 ( E max = 17 and 12%, respectively), while both compounds were also found to be partial agonists at the G αi1 pathway, despite improved potency compared to DAMGO. Importantly, these analogs also showed a half-life in rat plasma in excess of 48 h, making them valuable tools for future in vivo investigations.

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)0.000
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 score0.019
Threshold uncertainty score0.550

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.001
Science and technology studies0.0000.001
Scholarly communication0.0000.001
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 head0.028
GPT teacher head0.282
Teacher spread0.255 · 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