Evidence map›Paper›PMID 38139784›Full record

ArticlePharmaceuticals (Basel, Switzerland)2023

Development of Potential Multi-Target Inhibitors for Human Cholinesterases and Beta-Secretase 1: A Computational Approach.

Deyse B Barbosa, Mayra R do Bomfim, Tiago A de Oliveira, Alisson M da Silva, Alex G Taranto, Jorddy N Cruz, Paulo B de Carvalho, Joaquín M Campos, Cleydson B R Santos, Franco H A Leite

Open access · goldAbstract read
In one paragraph

Article in Pharmaceuticals (Basel, Switzerland), 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.

0numbers the graph read from it
0cells of the map it votes in
4citing papers in PubMed
1.2field-weighted citation impact, top 17% of its field
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

4 citing papers in PubMed, 6 citations in OpenAlex.

  1. Article
  2. Review
  3. Article
  4. 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

10 authors at 6 institutions in 3 countries.

Deyse B BarbosaLaboratório de Modelagem Molecular, Departamento de Saúde, Universidade Estadual de Feira de Santana, Feira de Santana 44036-900, BA, Brazil.ORCID 0000-0003-2089-4403
Mayra R do BomfimLaboratório de Modelagem Molecular, Departamento de Saúde, Universidade Estadual de Feira de Santana, Feira de Santana 44036-900, BA, Brazil.
Tiago A de OliveiraDepartamento de Informática, Gestão e Desenho, Centro Federal de Educação Tecnológica de Minas Gerais, Divinópolis 30575-180, MG, Brazil.ORCID 0000-0002-2541-9305
Alisson M da SilvaLaboratório de Bioinformática e Desenho de Fármacos, Universidade Federal de São João del-Rei, São João del-Rei 36307-352, MG, Brazil.ORCID 0000-0002-1023-6514
Alex G TarantoLaboratório de Bioinformática e Desenho de Fármacos, Universidade Federal de São João del-Rei, São João del-Rei 36307-352, MG, Brazil.ORCID 0000-0002-6086-1043
Jorddy N CruzLaboratório de Modelagem e Química Computacional, Departamento de Ciências Biológicas e de Saúde, Universidade Federal do Amapá, Macapá 68903-419, AP, Brazil.ORCID 0000-0003-0529-3714
Paulo B de CarvalhoFeik School of Pharmacy, University of the Incarnate Word, San Antonio, TX 78209, USA.ORCID 0000-0002-8251-9214
Joaquín M CamposDepartamento de Química Orgánica Farmacéutica, Facultad de Farmacia, Campus de la Cartuja, Universidad de Granada, 18012 Granada, Spain.ORCID 0000-0002-9035-8123
Cleydson B R SantosLaboratório de Modelagem e Química Computacional, Departamento de Ciências Biológicas e de Saúde, Universidade Federal do Amapá, Macapá 68903-419, AP, Brazil.ORCID 0000-0002-0271-335X
Franco H A LeiteLaboratório de Modelagem Molecular, Departamento de Saúde, Universidade Estadual de Feira de Santana, Feira de Santana 44036-900, BA, Brazil.
Universidade Estadual de Feira de Santana · BRFederal University of São João del-Rei · BRUniversidade Federal do Amapá · BRFederal Center for Technological Education of Minas Gerais · BRUniversidad de Granada · ESUniversity of the Incarnate Word · US

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Alzheimer's disease causes chronic neurodegeneration and is the leading cause of dementia in the world. The causes of this disease are not fully understood but seem to involve two essential cerebral pathways: cholinergic and amyloid. The simultaneous inhibition of AChE, BuChE, and BACE-1, essential enzymes involved in those pathways, is a promising therapeutic approach to treat the symptoms and, hopefully, also halt the disease progression. This study sought to identify triple enzymatic inhibitors based on stereo-electronic requirements deduced from molecular modeling of AChE, BuChE, and BACE-1 active sites. A pharmacophore model was built, displaying four hydrophobic centers, three hydrogen bond acceptors, and one positively charged nitrogen, and used to prioritize molecules found in virtual libraries. Compounds showing adequate overlapping rates with the pharmacophore were subjected to molecular docking against the three enzymes and those with an adequate docking score (

Indexed as

Alzheimer’s diseasemolecular dockingmolecular dynamicspharmacophore modeltriple inhibitors

Identifiers

PMID38139784
PMCPMC10748024
OpenAlexW4389086215

What OpenQuestion holds

Textmetadata
LicenceCC BY
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.