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Record W2466291228 · doi:10.1021/acsinfecdis.5b00068

In Vitro and in Vivo Activity of Multitarget Inhibitors against <i>Trypanosoma brucei</i>

2015· article· en· W2466291228 on OpenAlexfundno aff
Gyongseon Yang, Wei Zhu, Yang Wang, Guozhong Huang, Soo Young Byun, Gahee Choi, Kai Li, Zhuoli Huang, Roberto Docampo, Eric Oldfield, Joo Hwan No

Bibliographic record

VenueACS Infectious Diseases · 2015
Typearticle
Languageen
FieldMedicine
TopicTrypanosoma species research and implications
Canadian institutionsnot available
FundersAir Force Office of Scientific ResearchLaboratory Directed Research and DevelopmentBasic Energy SciencesNational Institute of Allergy and Infectious DiseasesNational Chung-Hsing UniversityNational Institute of General Medical SciencesInstituto de Salud Carlos IIINational Cancer InstituteSeventh Framework ProgrammeWater Resources Research Institute, North Carolina State UniversityU.S. Public Health ServiceDivision of Chemical, Bioengineering, Environmental, and Transport SystemsDirectorate for EngineeringNatural Sciences and Engineering Research Council of CanadaMinistry of Science and Technology, TaiwanNational Research Foundation SingaporeMinisterio de Educación, Cultura y DeporteNational Research Foundation of KoreaKorea Institute of Science and Technology InformationDow Chemical CompanyUniversity of AlbertaNational Institutes of HealthCanada Research ChairsNational Natural Science Foundation of ChinaCanada Foundation for InnovationCanadian Institutes of Health ResearchCentral Taiwan University of Science and TechnologyGovernment of Canada
KeywordsTrypanosoma bruceiIn vivoIn vitroBiologyChemistryPharmacologyBiochemistryBiotechnology

Abstract

fetched live from OpenAlex

We tested a series of amidine and related compounds against Trypanosoma brucei. The most active compound was a biphenyldiamidine that had an EC 50 of 7.7 nM against bloodstream-form parasites. There was little toxicity against two human cell lines with CC 50 > 100 μM. There was also good in vivo activity in a mouse model of infection with 100% survival at 3 mg/kg i.p. The most potent lead blocked replication of kinetoplast DNA (k-DNA), but not nuclear DNA, in the parasite. Some compounds also inhibited the enzyme farnesyl diphosphate synthase (FPPS), and some were uncouplers of oxidative phosphorylation. We developed a computational model for T. brucei cell growth inhibition (R (2) = 0.76) using DNA ΔT m values for inhibitor binding combined with T. brucei FPPS IC 50 values. Overall, the results suggest that it may be possible to develop multitarget drug leads against T. brucei that act by inhibiting both k-DNA replication and isoprenoid biosynthesis.

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: Observational · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.557
Threshold uncertainty score0.525

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 head0.017
GPT teacher head0.293
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 designObservational
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

Citations9
Published2015
Admission routes1
Has abstractyes

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