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Record W2332202928 · doi:10.1021/om300392q

Modular Synthesis of 1,2- and 1,1′-Disubstituted Ferrocenyl Carbohydrate Chloroquine and Mefloquine Conjugates as Potential Antimalarial Agents

2012· article· en· W2332202928 on OpenAlex

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

VenueOrganometallics · 2012
Typearticle
Languageen
FieldChemistry
TopicFerrocene Chemistry and Applications
Canadian institutionsTRIUMFAdvanced Applied Physics SolutionsUniversity of British Columbia
Fundersnot available
KeywordsChemistryStereochemistryPlasmodium falciparumMefloquineChloroquineStrain (injury)AdamantaneLinkerReductive aminationConjugateQuinolineMoietyArtemisininCombinatorial chemistryOrganic chemistryMalariaCatalysis

Abstract

fetched live from OpenAlex

The modular synthesis of novel organometallic antimalarials based on a 1,2- or 1,1′-disubstituted ferrocene scaffold ( 10 and 11 ) is presented. Ferrocenes were substituted via an ether linker with either 7-chloroquinoline or 2,8-bis(trifluoromethyl)quinoline, as a chloroquine or mefloquine derivative, respectively. Diisopropylidene-protected 6-amino-6-deoxyglucofuranose ( 18 ) or 6-amino-6-deoxygalactopyranose ( 21 ) was coupled via reductive amination to yield the target conjugates 24 – 27 and 30 . Yields could be substantially increased using a microwave reactor instead of conventional heating, which reduced the reaction time as well. After complete characterization these novel trifunctional conjugates were examined for their antiplasmodial activity in a chloroquine-susceptible (CQS) strain of Plasmodium falciparum (D10) and a chloroquine-resistant (CQR) strain (Dd2). The determined IC 50 values were in the low micromolar range. Introduction of the carbohydrate led to an increase in activity (>200 μM ( 16, D10) to 1.2 μM ( 24, D10)). The best activity was measured for 26 in Dd2 (IC 50 = 0.77 μM). Resistance indices (RI) for all measured compounds were <1, indicating a higher activity in the chloroquine-resistant Dd2 strain in comparison to the chloroquine-susceptible D10 strain (RI = 0.93 for 24, RI = 0.15 for 25 ).

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)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Insufficient 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 score0.002
Threshold uncertainty score1.000

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)0.0010.000

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 head0.012
GPT teacher head0.236
Teacher spread0.224 · 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