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Record W4400018508 · doi:10.1021/acs.jmedchem.3c02164

Development of a Potent and Selective G2A (GPR132) Agonist

2024· article· en· W4400018508 on OpenAlexfundno aff
Víctor Hernández‐Olmos, Jan Heering, Beatrice Marinescu, Tina Schermeng, Vladimir V. Ivanov, Yurii S. Moroz, Sheila Nevermann, Marius Mathes, Johanna H. M. Ehrler, Mohamad Wessam Alnouri, Markus Wolf, Alicia S. Haydo, Tessa Schmachtel, Andrea Zaliani, Georg Höfner, Astrid Kaiser, Manfred Schubert‐Zsilavecz, Annette G. Beck‐Sickinger, Stefan Offermanns, Philipp Gribbon, Michael A. Rieger, Daniel Merk, Marco Sisignano, Dieter Steinhilber, Ewgenij Proschak

Bibliographic record

VenueJournal of Medicinal Chemistry · 2024
Typearticle
Languageen
FieldMedicine
TopicHyperglycemia and glycemic control in critically ill and hospitalized patients
Canadian institutionsnot available
FundersHorizon 2020 Framework ProgrammeCardio-Pulmonary InstituteTaras Shevchenko National University of KyivEnamineUniversität LeipzigEuropean CommissionKungliga Tekniska HögskolanDeutschen Konsortium für Translationale KrebsforschungMcGill UniversityCancer Research InstituteEuropean Federation of Pharmaceutical Industries and AssociationsDiamond Light SourceDeutsche ForschungsgemeinschaftDeutsches Krebsforschungszentrum
KeywordsChemistryAgonistPharmacologyStereochemistryReceptorBiochemistry

Abstract

fetched live from OpenAlex

High Resolution Image Download MS PowerPoint Slide G protein-coupled receptor G2A was postulated to be a promising target for the development of new therapeutics in neuropathic pain, acute myeloid leukemia, and inflammation. However, there is still a lack of potent, selective, and drug-like G2A agonists to be used as a chemical tool or as the starting matter for the development of drugs. In this work, we present the discovery and structure–activity relationship elucidation of a new potent and selective G2A agonist scaffold. Systematic optimization resulted in (3-(pyridin-3-ylmethoxy)benzoyl)- d -phenylalanine (T-10418) exhibiting higher potency than the reference and natural ligand 9-HODE and high selectivity among G protein-coupled receptors. With its favorable activity, a clean selectivity profile, excellent solubility, and high metabolic stability, T-10418 qualifies as a pharmacological tool to investigate the effects of G2A activation.

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: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.002
Threshold uncertainty score0.005

Distilled classifier scores by category (both heads)

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)0.0020.000

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 head0.012
GPT teacher head0.285
Teacher spread0.273 · 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 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

Citations3
Published2024
Admission routes1
Has abstractyes

Explore more

Same venueJournal of Medicinal ChemistrySame topicHyperglycemia and glycemic control in critically ill and hospitalized patientsFrench-language works237,207