Evidence map›Paper›PMID 39325274›Full record

ArticleJournal of molecular modeling2024

Predicting biological activity and design of 5-HT

Daniel S de Sousa, Aldineia P da Silva, Laise P A Chiari, Rafaela M de Angelo, Alexsandro G de Sousa, Kathia M Honorio, Albérico B F da Silva

Abstract read
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In one paragraph

Article in Journal of molecular modeling, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.

0numbers the graph read from it
0cells of the map it votes in
2citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

2 citing papers in PubMed.

  1. The GPCR Connection: Linking Alzheimer's Disease and Glioblastoma.Journal of cellular and molecular medicine · 2026
    Review
  2. Neurotransmitter Systems in Alzheimer's Disease.Current issues in molecular biology · 2026
    Review
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

7 authors.

Daniel S de SousaSão Carlos Institute of Chemistry, University of São Paulo, São Carlos, 13560-970, São Paulo, Brazil. daniel.silva.sousa@usp.br.
Aldineia P da SilvaSchool of Arts, Sciences and Humanities, University of São Paulo, São Paulo, 03828-000, Brazil. aldineiapereira@hotmail.com.
Laise P A ChiariSão Carlos Institute of Chemistry, University of São Paulo, São Carlos, 13560-970, São Paulo, Brazil.
Rafaela M de AngeloCenter for Natural Sciences and Humanities, Federal University of ABC, Santo André, 09210-580, São Paulo, Brazil.
Alexsandro G de SousaDepartment of Exact and Natural Sciences, Southwest Bahia State University, Itapetinga, 45700-000, Bahia, Brazil.
Kathia M HonorioSchool of Arts, Sciences and Humanities, University of São Paulo, São Paulo, 03828-000, Brazil.
Albérico B F da SilvaSão Carlos Institute of Chemistry, University of São Paulo, São Carlos, 13560-970, São Paulo, Brazil. alberico@iqsc.usp.br.

Funding

Conselho Nacional de Desenvolvimento Científico e Tecnológico 140894/2021-7, 152105/2022-0
6 · The paper itself

Abstract

contextAlzheimer's disease (AD) is the leading cause of dementia around the world, totaling about 55 million cases, with an estimated growth to 74.7 million cases in 2030, which makes its treatment widely desired. Several studies and strategies are being developed considering the main theories regarding its origin since it is not yet fully understood. Among these strategies, the 5-HT

methodsAddressing this challenge, our research explored a promising avenue in drug discovery for AD, employing Artificial Neural Networks-Quantitative Structure-Activity Relationship (ANN-QSAR) models. These models have demonstrated great potential in predicting the biological activity of compounds based on their molecular structures. By harnessing the capabilities of machine learning and computational chemistry, we aimed to create a systematic approach for analyzing and forecasting the activity of potential drug candidates, thus streamlining the drug discovery process. We assembled a diverse set of compounds targeting this receptor and utilized density functional theory (DFT) calculations to extract essential molecular descriptors, effectively representing the structural features of the compounds. Subsequently, these molecular descriptors served as input for training the ANN-QSAR models alongside corresponding biological activity data, enabling us to predict the potential efficacy of novel compounds as 5-hydroxytryptamine receptor 6 (5-HT

Indexed as

Alzheimer DiseaseDrug DesignQuantitative Structure-Activity RelationshipReceptors, SerotoninSerotonin AntagonistsHumansModels, MolecularNeural Networks, ComputerReceptors, Serotoninserotonin 6 receptorSerotonin Antagonists5-HT6Alzheimer’s diseaseANN-QSARAntagonistsDFT

Identifiers

What OpenQuestion holds

Textmetadata
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.