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Record W2330032839 · doi:10.5935/1984-6835.20150027

Recent Applications of the MultiTarget Directed Ligands Approach for the Treatment of Alzheimer's Disease

2015· article· en· W2330032839 on OpenAlexaff
Kris Simone Tranches Dias, Cynthia T. de Paula, Mariana M. Riquiel, Samara T. L. do Lago, Karla Cristinne Mancini Costa, Sarah Macedo Vaz, Rafael Pereira Machado, Laís M. S. de Lima, Cláudio Viegas

Bibliographic record

VenueRevista Virtual de Química · 2015
Typearticle
Languageen
FieldComputer Science
TopicComputational Drug Discovery Methods
Canadian institutionsDiscovery Air (Canada)
Fundersnot available
KeywordsAlzheimer's diseaseDiseaseNeuroscienceMedicineComputational biologyComputer sciencePsychologyBiologyInternal medicine

Abstract

fetched live from OpenAlex

In the last years, Medicinal Chemistry is tracking down for novel tools and alternatives capable to bring to light better agility, safety and a more efficient address in the design and prospection of drug candidates. In this context, strategies for drug discovery focusing the development of ligands that act on specific target have been discussed, considering that they have limited application on multifactorial diseases, where a set of biochemical events and protein targets are involved. During the last decade, a novel polypharmacology based approach has emerged for planning ligands, aiming the discovery of chemical entities capable to act simultaneously on multiple molecular targets. Since 2005, the literature has reported many studies that use this innovative strategy for drug design against Alzhei e s disease (AD). AD is a neurodegenerative illness, characterized by a set of interconnected events involving intra and extracellular protein fragment deposits, the onset of a complex neuroinflammatory process, mitochondrial dysfunction, apoptosis and neuronal death. As a consequence of the disease progress, the patient is affected by memory and cholinergic deficits, motor and functional impairment, and death. In this brief review, our goal was to report the most recent advances (2013-2014) on medicinal chemistry for the design and discovery of novel multi-target drug candidate prototypes potentially useful for AD treatment. This work is complementary to another review recently published by our group covering the early 2005-2012 period. In most of the works discussed herein, the commercial drugs rivastigmine, tacrina, donepezil and galanthamine have been used as models of acetilcolinesterase inhibitors for the design of novel molecular hybrids with multiple action profile. In other cases, natural products such as curcumine, resveratrol, berberine and quercetin have been elected due to their neuroprotective, antiapoptotic, anti-inflammatory and antioxidant characteristics for planning new chemical entities with innovative properties and therapeutic potential for a more effective AD treatment.

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: Simulation or modeling · Consensus signal: none
GenreCandidate signal: Methods · Consensus signal: none
Teacher disagreement score0.831
Threshold uncertainty score0.293

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 science0.0010.000
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 head0.056
GPT teacher head0.326
Teacher spread0.270 · 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 designSimulation or modeling
Domainnot available
GenreMethods

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

Citations8
Published2015
Admission routes1
Has abstractyes

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