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Record W2904094032 · doi:10.1021/acs.jmedchem.8b01218

Identification of GSK3186899/DDD853651 as a Preclinical Development Candidate for the Treatment of Visceral Leishmaniasis

2018· article· en· W2904094032 on OpenAlexaff
Michael G. Thomas, Manu De Rycker, Myriam Ajakane, Sébastien Albrecht, Ana Isabel Álvarez-Pedraglio, Markus Böesche, Stephen Brand, Lorna Campbell, Juan Cantizani-Perez, Laura A. T. Cleghorn, Royston C. B. Copley, Sabrinia Crouch, Alain Daugan, Gerard Drewes, Santiago Ferrer, Sonja Ghidelli‐Disse, Silvia González, Stephanie Gresham, Alan P. Hill, Sean J. Hindley, Rhiannon Lowe, Claire J. Mackenzie, Lorna MacLean, Sujatha Manthri, Franck Martin, Juan Miguel-Siles, Van Loc Nguyen, Suzanne Norval, Maria Osuna‐Cabello, Andrew Woodland, Stephen Patterson, Imanol Peña, Maria Teresa Quesada-Campos, Iain H. Reid, Charlotte Revill, Jennifer Riley, Jose Ramon Ruiz-Gomez, Yoko Shishikura, Frederick R. C. Simeons, Alasdair Smith, Victoria Smith, Daniel Spinks, Laste Stojanovski, John Thomas, Stephen Thompson, Tim Underwood, David W. Gray, José M. Fiandor, Ian H. Gilbert, Paul G. Wyatt, Kevin D. Read, Timothy J. Miles

Bibliographic record

VenueJournal of Medicinal Chemistry · 2018
Typearticle
Languageen
FieldMedicine
TopicResearch on Leishmaniasis Studies
Canadian institutionsDiscovery Centre
FundersWellcome Trust
KeywordsVisceral leishmaniasisLeishmaniasisLeishmania donovaniDrug candidateLeishmaniaTropical diseaseIdentification (biology)Computational biologyMedicineDiseaseIntensive care medicinePharmacologyImmunologyBiologyDrugComputer sciencePathology

Abstract

fetched live from OpenAlex

The leishmaniases are diseases that affect millions of people across the world, in particular visceral leishmaniasis (VL) which is fatal unless treated. Current standard of care for VL suffers from multiple issues and there is a limited pipeline of new candidate drugs. As such, there is a clear unmet medical need to identify new treatments. This paper describes the optimization of a phenotypic hit against Leishmania donovani, the major causative organism of VL. The key challenges were to balance solubility and metabolic stability while maintaining potency. Herein, strategies to address these shortcomings and enhance efficacy are discussed, culminating in the discovery of preclinical development candidate GSK3186899/DDD853651 (1) for VL.

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)0.001
metaresearch head score (Gemma)0.001
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 score0.139
Threshold uncertainty score0.368

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.001
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.000
Science and technology studies0.0000.001
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0000.000

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 head0.048
GPT teacher head0.389
Teacher spread0.341 · 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

Citations49
Published2018
Admission routes1
Has abstractyes

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