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Chemogenomics identifies acetyl-coenzyme A synthetase as a target for malaria treatment and prevention

2021· article· en· W3191673291 on OpenAlexaff
Robert L. Summers, Charisse Flerida A. Pasaje, João Pedro Pisco, Josefine Striepen, Madeline R. Luth, Krittikorn Kümpornsin, Emma F. Carpenter, Justin Munro, De Lin, Andrew Plater, Avinash S. Punekar, Andrew M. Shepherd, Sharon M. Shepherd, Manu Vanaerschot, James M. Murithi, Kelly Rubiano, Aslı Akidil, Sabine Ottilie, Nimisha Mittal, Amanda Hazel Dilmore, Madalyn M. Won, Rebecca Mandt, Kerry McGowen, Edward Owen, Chris Walpole, Manuel Llinás, Lee M, Elizabeth A. Winzeler, David A. Fidock, Ian H. Gilbert, Dyann F. Wirth, Jacquin C. Niles, Beatriz Baragaña, Amanda K. Lukens

Bibliographic record

VenueCell chemical biology · 2021
Typearticle
Languageen
FieldMedicine
TopicMalaria Research and Control
Canadian institutionsStructural Genomics ConsortiumMcGill University Health Centre
FundersNational Institute of General Medical SciencesNational Health and Medical Research CouncilNational Institute of Allergy and Infectious DiseasesMedical Research CouncilHuck Institutes of the Life SciencesNational Institutes of HealthGlobal Health Innovative Technology FundUniversity of DundeeMedicines for Malaria VentureHarvard T.H. Chan School of Public HealthNational Institute of Diabetes and Digestive and Kidney DiseasesBill and Melinda Gates FoundationPennsylvania State UniversityWellcome TrustUniversity of Pennsylvania
KeywordsDruggabilityGene knockdownBiologyAcetylationEpigeneticsGeneEnzymeBiochemistryIn vitroPlasmodium falciparumGeneticsCell biologyMalaria

Abstract

fetched live from OpenAlex

We identify the Plasmodium falciparum acetyl-coenzyme A synthetase (PfAcAS) as a druggable target, using genetic and chemical validation. In vitro evolution of resistance with two antiplasmodial drug-like compounds (MMV019721 and MMV084978) selects for mutations in PfAcAS. Metabolic profiling of compound-treated parasites reveals changes in acetyl-CoA levels for both compounds. Genome editing confirms that mutations in PfAcAS are sufficient to confer resistance. Knockdown studies demonstrate that PfAcAS is essential for asexual growth, and partial knockdown induces hypersensitivity to both compounds. In vitro biochemical assays using recombinantly expressed PfAcAS validates that MMV019721 and MMV084978 directly inhibit the enzyme by preventing CoA and acetate binding, respectively. Immunolocalization studies reveal that PfAcAS is primarily localized to the nucleus. Functional studies demonstrate inhibition of histone acetylation in compound-treated wild-type, but not in resistant parasites. Our findings identify and validate PfAcAS as an essential, druggable target involved in the epigenetic regulation of gene expression.

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)0.000
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: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.026
Threshold uncertainty score0.468

Codex and Gemma teacher scores by category

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)0.0000.000

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 head0.018
GPT teacher head0.294
Teacher spread0.276 · 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

Citations81
Published2021
Admission routes1
Has abstractyes

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