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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 OpenAlexaff
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

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.

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 score0.006

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 head0.022
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

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

Citations10
Published2024
Admission routes1
Has abstractyes

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