Evidence map›Paper›PMID 37108083›Full record

ArticleInternational journal of molecular sciences2023

Structure-Based Design and Pharmacophore-Based Virtual Screening of Combinatorial Library of Triclosan Analogues Active against Enoyl-Acyl Carrier Protein Reductase of

Cecile Bieri, Akori Esmel, Melalie Keita, Luc Calvin Owono Owono, Brice Dali, Eugene Megnassan, Stanislav Miertus, Vladimir Frecer

Open access · goldAbstract read
In one paragraph

Article in International journal of molecular sciences, 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
2.4field-weighted citation impact, top 10% 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, 12 citations in OpenAlex.

  1. Article
  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

8 authors at 5 institutions in 5 countries.

Cecile BieriLaboratoire de Physique Fondamentale et Appliquée (LPFA), University of Abobo Adjamé (Now Nangui Abrogoua), Abidjan 02, Côte d'Ivoire.
Akori EsmelLaboratoire de Physique Fondamentale et Appliquée (LPFA), University of Abobo Adjamé (Now Nangui Abrogoua), Abidjan 02, Côte d'Ivoire.
Melalie KeitaLaboratoire de Physique Fondamentale et Appliquée (LPFA), University of Abobo Adjamé (Now Nangui Abrogoua), Abidjan 02, Côte d'Ivoire.
Luc Calvin Owono OwonoDepartment of Physics, Ecole Normale Supérieure, University of Yaoundé I, P.O. Box 47, Yaoundé 1, Cameroon.
Brice DaliLaboratoire de Physique Fondamentale et Appliquée (LPFA), University of Abobo Adjamé (Now Nangui Abrogoua), Abidjan 02, Côte d'Ivoire.
Eugene MegnassanLaboratoire de Physique Fondamentale et Appliquée (LPFA), University of Abobo Adjamé (Now Nangui Abrogoua), Abidjan 02, Côte d'Ivoire.ORCID 0000-0003-1505-5277
Stanislav MiertusInternational Centre for Applied Research and Sustainable Technology, SK-84104 Bratislava, Slovakia.
Vladimir FrecerDepartment of Physical Chemistry of Drugs, Faculty of Pharmacy, Comenius University Bratislava, SK-83232 Bratislava, Slovakia.ORCID 0000-0001-9378-5860
Université Nangui Abrogoua · CIComenius University Bratislava · SKInternational Centre for Applied Research and Sustainable Technology · SKThe Abdus Salam International Centre for Theoretical Physics (ICTP) · ITUniversité de Yaoundé I · CM

Funding

Slovak Research and Development Agency APVV-21-0108Slovak Research and Development Agency PP-COVID-20-0010
6 · The paper itself

Abstract

Cost-effective therapy of neglected and tropical diseases such as malaria requires everlasting drug discovery efforts due to the rapidly emerging drug resistance of the plasmodium parasite. We have carried out computational design of new inhibitors of the enoyl-acyl carrier protein reductase (ENR) of

Indexed as

AntimalarialsTriclosanAcyl Carrier ProteinEnoyl-(Acyl-Carrier-Protein) Reductase (NADH)Molecular Docking SimulationMolecular Dynamics SimulationPharmacophorePlasmodium falciparumQuantitative Structure-Activity RelationshipAcyl Carrier ProteinAntimalarialsEnoyl-(Acyl-Carrier-Protein) Reductase (NADH)TriclosanADME-related propertiesin silico screeningmalariamolecular dynamicsmolecular modellingPfENRpharmacophoreQSARtriclosanvirtual combinatorial library

Identifiers

PMID37108083
PMCPMC10139228
OpenAlexW4363647994

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.