Evidence map›Paper›PMID 33920961›Full record

ArticleBiomolecules2021

Chemoinformatics Studies on a Series of Imidazoles as Cruzain Inhibitors.

Alex R Medeiros, Leonardo L G Ferreira, Mariana L de Souza, Celso de Oliveira Rezende Junior, Rocío Marisol Espinoza-Chávez, Luiz Carlos Dias, Adriano D Andricopulo

Abstract read
In one paragraph

Article in Biomolecules, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers, 1 of them a synthesis that pooled it.

0numbers the graph read from it
0cells of the map it votes in
4citing papers in PubMed, 1 pooled it
–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

4 citing papers in PubMed, 1 synthesis or guideline pooled it.

  1. Pooled it
  2. Article
  3. Article
  4. Article
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.

Alex R MedeirosLaboratório de Química Medicinal e Computacional, Centro de Pesquisa e Inovação em Biodiversidade e Fármacos, Instituto de Física de São Carlos, Universidade de São Paulo, Av. João Dagnone 1100, São Carlos, SP 13563-120, Brazil.
Leonardo L G FerreiraLaboratório de Química Medicinal e Computacional, Centro de Pesquisa e Inovação em Biodiversidade e Fármacos, Instituto de Física de São Carlos, Universidade de São Paulo, Av. João Dagnone 1100, São Carlos, SP 13563-120, Brazil.ORCID 0000-0002-6947-0639
Mariana L de SouzaLaboratório de Química Medicinal e Computacional, Centro de Pesquisa e Inovação em Biodiversidade e Fármacos, Instituto de Física de São Carlos, Universidade de São Paulo, Av. João Dagnone 1100, São Carlos, SP 13563-120, Brazil.ORCID 0000-0003-1886-3878
Celso de Oliveira Rezende JuniorInstituto de Química, Universidade Estadual de Campinas, Campinas, SP 13084-971, Brazil.ORCID 0000-0003-1402-2035
Rocío Marisol Espinoza-ChávezInstituto de Química, Universidade Estadual de Campinas, Campinas, SP 13084-971, Brazil.ORCID 0000-0002-6906-9394
Luiz Carlos DiasInstituto de Química, Universidade Estadual de Campinas, Campinas, SP 13084-971, Brazil.
Adriano D AndricopuloLaboratório de Química Medicinal e Computacional, Centro de Pesquisa e Inovação em Biodiversidade e Fármacos, Instituto de Física de São Carlos, Universidade de São Paulo, Av. João Dagnone 1100, São Carlos, SP 13563-120, Brazil.ORCID 0000-0002-0457-818X

Funding

Fundação de Amparo à Pesquisa do Estado de São Paulo 13/07600-3Fundação de Amparo à Pesquisa do Estado de São Paulo 13/25658-9
6 · The paper itself

Abstract

Natural products based on imidazole scaffolds have inspired the discovery of a wide variety of bioactive compounds. Herein, a series of imidazoles that act as competitive and potent cruzain inhibitors was investigated using a combination of ligand- and structure-based drug design strategies. Quantitative structure-activity relationships (QSARs) were generated along with the investigation of enzyme-inhibitor molecular interactions. Predictive hologram QSAR (HQSAR,

Indexed as

Molecular Docking SimulationQuantitative Structure-Activity RelationshipBinding SitesCysteine EndopeptidasesDrug DesignImidazolesProtease InhibitorsProtein BindingProtozoan ProteinscruzipainCysteine EndopeptidasesImidazolesProtease InhibitorsProtozoan ProteinsChagas diseasecruzaininhibitorLBDDQSARSBDD

Identifiers

PMID33920961
PMCPMC8071344

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.