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Record W4404208202 · doi:10.1002/cmdc.202400616

Synthesis and Evaluation of Fluorinated Piperazine‐Hydroxyethylamine Analogues as Potential Antiplasmodial Candidates

2024· article· en· W4404208202 on OpenAlexaff
Charu Upadhyay, Shreya Bhattacharya, Sumit Kumar, Kapil Vashisht, Xujie Zhang, Dominic Gagnon, Pooja Singh, Dave Richard, Brijesh Rathi, Agam Prasad Singh

Bibliographic record

VenueChemMedChem · 2024
Typearticle
Languageen
FieldChemistry
TopicSynthesis and Biological Evaluation
Canadian institutionsUniversité LavalCentre hospitalier de l'Université Laval
FundersScience and Engineering Research BoardCouncil of Scientific and Industrial Research, India
KeywordsPiperazineChemistryCombinatorial chemistryPharmacologyStereochemistryMedicineOrganic chemistry

Abstract

fetched live from OpenAlex

Abstract In this manuscript, twenty‐one novel fluorinated piperazine‐hydroxyethylamine analogues were synthesized and tested against Plasmodium falciparum ( Pf ). Among tested compounds, two 13 g and 14 g exhibited promising inhibitory activity on Pf 3D7 with IC 50 values of 0.28 and 0.09 μM, respectively. Neither of the hits exhibited cytotoxicity on HepG2 cells up to 150 μM and Vero cells up to 20 μM. Compounds 13 g and 14 g were also evaluated against chloroquine‐resistant Pf Dd2 and displayed IC 50 values of 0.11 and 0.10 μM, respectively. Next, 13 g and 14 g were administered to the Plasmodium berghei mice model at 30 mg/kg intraperitoneally for four consecutive doses, which showed 25 % and 50 % reduction in the parasitemia load, respectively. The efficacy of hits 13 g and 14 g was improved along with mean survival time when administered in combination with artesunate. On liver‐stage parasites, compounds 13 g and 14 g showed >80 % inhibition at 1 μM. Compound 14 g was also tested for toxicity in mice at 100 mg/kg dose, which revealed no abnormality in mice organs. Preliminary pharmacokinetic studies of compound 14 g exhibited absorption and maintained a presence in the body for more than six hours.

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 categoriesInsufficient payload (model declined to judge)
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 score0.083
Threshold uncertainty score0.999

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.001
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)0.0020.000

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 head0.027
GPT teacher head0.289
Teacher spread0.262 · 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.

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

Citations4
Published2024
Admission routes1
Has abstractyes

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