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Record W4403171978 · doi:10.1021/jacsau.4c00674

Pyrimidine Azepine Targets the <i>Plasmodium bc</i><sub>1</sub> Complex and Displays Multistage Antimalarial Activity

2024· article· en· W4403171978 on OpenAlex
Juliana Calit, Surendra K. Prajapati, Ernest Diez Benavente, Jéssica E. Araújo, Bingbing Deng, Kazutoyo Miura, Yasmin Annunciato, Igor M. R. Moura, Miho Usui, Jansen Fernandes Medeiros, Carolina Horta Andrade, Sabrina Silva-Mendonça, Anton Simeonov, Richard T. Eastman, Carole A. Long, Maísa da Silva Araújo, Kim C. Williamson, Anna Caroline Campos Aguiar, Daniel Y. Bargieri

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.

Bibliographic record

VenueJACS Au · 2024
Typearticle
Languageen
FieldMedicine
TopicMalaria Research and Control
Canadian institutionsArtificial Intelligence in Medicine (Canada)
FundersNHLBI Division of Intramural ResearchNational Center for Advancing Translational SciencesUniformed Services University of the Health SciencesNational Institutes of HealthInstituto SerrapilheiraConselho Nacional de Desenvolvimento Científico e TecnológicoFundação de Amparo à Pesquisa do Estado de São PauloNational Institute of Allergy and Infectious DiseasesFundação de Amparo à Pesquisa do Estado de GoiásDivision of Intramural Research, National Institute of Allergy and Infectious DiseasesBill and Melinda Gates Foundation
KeywordsPlasmodium falciparumBiologyPlasmodium bergheiGametocyteMalariaPlasmodium (life cycle)AzepineParasite hostingPyrimidineIn vitroVirologyGeneticsChemistryStereochemistryImmunology

Abstract

fetched live from OpenAlex

High Resolution Image Download MS PowerPoint Slide Malaria control and elimination efforts would benefit from the identification and validation of new malaria chemotherapeutics. Recently, a transgenic Plasmodium berghei line was used to perform a series of high-throughput in vitro screens for new antimalarials acting against the parasite sexual stages. The screens identified pyrimidine azepine chemotypes with potent activity. Here, we validate the activity of PyAz90, the most potent pyrimidine azepine chemotype identified, against P. falciparum and P. vivax in the asexual and sexual stages. PyAz90 blocked parasite transmission to the mosquito vector at nanomolar concentrations and inhibited in vitro asexual parasite multiplication with a fast-action profile. Through the generation of P. falciparum PyAz90- resistant parasites and in vitro assays of mitochondrial activity, we identified cytochrome b as a molecular target of PyAz90 . This work characterizes a promising chemotype that can be explored for the future development of new antimalarials targeting the Plasmodium cytochrome bc 1 complex.

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 score0.747
Threshold uncertainty score0.607

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
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 integrity0.0000.001
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 head0.022
GPT teacher head0.285
Teacher spread0.264 · 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