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Record W2090614925 · doi:10.1039/c4ob01399a

Influence of B-ring modifications on proton affinity, transmembrane anion transport and anti-cancer properties of synthetic prodigiosenes

2014· article· en· W2090614925 on OpenAlexafffund
Estelle Marchal, Soumya Rastogi, Alison Thompson, Jeffery T. Davis

Bibliographic record

VenueOrganic & Biomolecular Chemistry · 2014
Typearticle
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicMicrobial Metabolism and Applications
Canadian institutionsDalhousie University
FundersBasic Energy SciencesCanadian Institutes of Health ResearchNova Scotia Health Research FoundationTerry Fox FoundationBeatrice Hunter Cancer Research InstituteCancer Research InstituteU.S. Department of Energy
KeywordsChemistryRing (chemistry)Transmembrane proteinIonProtonCombinatorial chemistryProton affinityStereochemistryBiochemistryOrganic chemistryReceptor

Abstract

fetched live from OpenAlex

Prodigiosin is the parent compound of the tripyrrolic natural products known as the prodigiosenes. Some of these natural products and their synthetic analogs show anti-cancer, immunosuppressive and antimicrobial actions, amongst other biological activities. One mechanism put forth to explain their biological activity is that since prodigiosenes are typically protonated at physiological pH they can alter intracellular pH via HCl co-transport (or Cl(-)/OH(-) exchange) across cell membranes. In this study we synthesized a series of prodigiosene analogs with different -O-aryl substituents attached to the B-ring of the tripyrrolic skeleton. NMR studies showed that these analogs can exist as a mixture of two stable α and β conformers in acidic solution, and that both conformers can bind anions in solution. We found that the electronic nature of the O-aryl substituent on the B-ring influences the rate at which these prodigiosenes catalyze transmembrane anion transport, i.e. the prodigiosenes with the higher pKa had greater Cl(-)/NO3(-) exchange rates. Four of the synthetic prodigiosenes were tested for their in vitro anti-cancer activities in the NCI60 human tumour panel. Despite their promising in vitro anti-cancer activity (GI50 values ranging from 18 to 74 nM), there was no evidence that this activity is influenced by the extent of protonation of these synthetic prodigiosenes.

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 score0.001
Threshold uncertainty score0.003

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)0.0010.000

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 head0.008
GPT teacher head0.217
Teacher spread0.209 · 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

Citations48
Published2014
Admission routes2
Has abstractyes

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