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Record W2010857942 · doi:10.1021/jm5015742

Novel 3-Nitrotriazole-Based Amides and Carbinols as Bifunctional Antichagasic Agents

2015· article· en· W2010857942 on OpenAlexfundno aff
Maria V. Papadopoulou, William D. Bloomer, Galina I. Lepesheva, Howard S. Rosenzweig, Marcel Kaiser, Benjamín Aguilera‐Venegas, Shane R. Wilkinson, Eric Chatelain, Jean‐Robert Ioset

Bibliographic record

VenueJournal of Medicinal Chemistry · 2015
Typearticle
Languageen
FieldMedicine
TopicTrypanosoma species research and implications
Canadian institutionsnot available
FundersFondo Nacional de Desarrollo Científico y TecnológicoNational Institute of General Medical SciencesSchool of Medicine, New York UniversityNational Institutes of HealthDrugs for Neglected Diseases initiativeYork UniversityBill and Melinda Gates FoundationNorthShore University HealthSystemBundesministerium für Bildung und Forschung
KeywordsChemistryBifunctionalNitroreductaseIn vitroCombinatorial chemistryIn vivoBioisostereTrypanosoma cruziStereochemistryEnzymeChemical synthesisBiochemistry

Abstract

fetched live from OpenAlex

3-Nitro-1H-1,2,4-triazole-based amides with a linear, rigid core and 3-nitrotriazole-based fluconazole analogues were synthesized as dual functioning antitrypanosomal agents. Such compounds are excellent substrates for type I nitroreductase (NTR) located in the mitochondrion of trypanosomatids and, at the same time, act as inhibitors of the sterol 14α-demethylase (T. cruzi CYP51) enzyme. Because combination treatments against parasites are often superior to monotherapy, we believe that this emerging class of bifunctional compounds may introduce a new generation of antitrypanosomal drugs. In the present work, the synthesis and in vitro and in vivo evaluation of such compounds is discussed.

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)0.000
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 score0.512
Threshold uncertainty score0.390

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.001
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)0.0000.000

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 head0.076
GPT teacher head0.345
Teacher spread0.269 · 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

Citations55
Published2015
Admission routes1
Has abstractyes

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