Evidence map›Paper›PMID 36499384›Full record

ArticleInternational journal of molecular sciences2022

Similarity-Based Virtual Screening to Find Antituberculosis Agents Based on Novel Scaffolds: Design, Syntheses and Pharmacological Assays.

Ángela García-García, Jesus Vicente de Julián-Ortiz, Jorge Gálvez, David Font, Carles Ayats, María Del Remedio Guna Serrano, Carlos Muñoz-Collado, Rafael Borrás, José Manuel Villalgordo

Abstract read
In one paragraph

Article in International journal of molecular sciences, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.

0numbers the graph read from it
0cells of the map it votes in
3citing 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

3 citing papers in PubMed.

  1. Review
  2. Article
  3. 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

9 authors.

Ángela García-GarcíaUnidad de Investigación de Diseño de Fármacos y Conectividad Molecular, Departamento de Química Física, Facultad de Farmacia, Universitat de València, 46100 Burjassot, Spain.
Jesus Vicente de Julián-OrtizUnidad de Investigación de Diseño de Fármacos y Conectividad Molecular, Departamento de Química Física, Facultad de Farmacia, Universitat de València, 46100 Burjassot, Spain.ORCID 0000-0001-9403-8744
Jorge GálvezUnidad de Investigación de Diseño de Fármacos y Conectividad Molecular, Departamento de Química Física, Facultad de Farmacia, Universitat de València, 46100 Burjassot, Spain.ORCID 0000-0003-0928-8437
David FontDepartamento de Química, Universitat de Girona, 17071 Girona, Spain.
Carles AyatsDepartamento de Química, Universitat de Girona, 17071 Girona, Spain.ORCID 0000-0001-5949-439X
María Del Remedio Guna SerranoUnidad de Investigación de Diseño de Fármacos y Conectividad Molecular, Departamento de Química Física, Facultad de Farmacia, Universitat de València, 46100 Burjassot, Spain.
Carlos Muñoz-ColladoDepartamento de Microbiología, Facultad de Medicina y Odontología, Universitat de València, 46010 València, Spain.
Rafael BorrásDepartamento de Microbiología, Facultad de Medicina y Odontología, Universitat de València, 46010 València, Spain.ORCID 0000-0001-5743-9768
José Manuel VillalgordoDepartamento de Química, Universitat de Girona, 17071 Girona, Spain.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

A method to identify molecular scaffolds potentially active against the Mycobacterium tuberculosis complex (MTBC) is developed. A set of structurally heterogeneous agents against MTBC was used to obtain a mathematical model based on topological descriptors. This model was statistically validated through a Leave-n-Out test. It successfully discriminated between active or inactive compounds over 86% in database sets. It was also useful to select new potential antituberculosis compounds in external databases. The selection of new substituted pyrimidines, pyrimidones and triazolo[1,5-

Indexed as

Antitubercular AgentsQuantitative Structure-Activity RelationshipDatabases, FactualDrug DesignMolecular StructureAntitubercular Agentsantimicrobial drugsdrug designlinear discriminant analysisMTBCpharmacological activity distribution diagramstopological indicesvirtual screening

Identifiers

PMID36499384
PMCPMC9737236

What OpenQuestion holds

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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.