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The Interaction of Metal Compounds with Protein Targets: New Tools in Medicinal Chemistry and Chemical Biology

2017· other· en· W4233913479 on OpenAlexafffund
Jessica J. Miller, Luiza Moreira Gomes, Tim Storr, Angela Casini

Bibliographic record

VenueEncyclopedia of Inorganic and Bioinorganic Chemistry · 2017
Typeother
Languageen
FieldMedicine
TopicMetal complexes synthesis and properties
Canadian institutionsSimon Fraser University
FundersNatural Sciences and Engineering Research Council of CanadaMichael Smith Health Research BC
KeywordsBiomoleculeNanotechnologyChemical biologyBioinorganic chemistryChemistryComputational biologyCombinatorial chemistryBiochemistryMaterials scienceBiology

Abstract

fetched live from OpenAlex

Abstract In cells and organisms, metal complexes can be specifically designed to interact with biomolecules and accordingly alter important biological processes. These interactions have been widely explored for targeting specific biological functions and diseases. In fact, several studies have demonstrated that inorganic chemistry offers significant diversity and versatility for the preparation of highly potent protein modulators (e.g., inhibitors). Moreover, both coordination and organometallic complexes featuring favorable chemico‐physical properties (e.g., luminescence) have proven to be well suited to image proteins and peptides in living cells by various methods. An inherent advantage of metal complexes is the accessibility of multiple oxidation states, and overall charge and geometries, which makes them attractive from the point of view of chemical design. However, these properties can become a disadvantage if not controlled and fine‐tuned in the biological application. In this review, we generally discuss the use of metal compounds, targeting proteins and/or peptides, in medicinal chemistry and chemical biology, and then focus on representative recent examples and applications. Furthermore, we highlight future challenges and attractive perspectives in the field, which may stimulate research and define new frontiers in bioinorganic chemistry.

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 score0.254
Threshold uncertainty score0.939

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.000
Science and technology studies0.0000.001
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 head0.017
GPT teacher head0.248
Teacher spread0.232 · 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

Citations9
Published2017
Admission routes2
Has abstractyes

Explore more

Same venueEncyclopedia of Inorganic and Bioinorganic ChemistrySame topicMetal complexes synthesis and propertiesFrench-language works237,207