Evidence map›Paper›PMID 33925246›Full record

ArticleMolecules (Basel, Switzerland)2021

Binding Free Energy (BFE) Calculations and Quantitative Structure-Activity Relationship (QSAR) Analysis of

Conrad V Simoben, Ehab Ghazy, Patrik Zeyen, Salma Darwish, Matthias Schmidt, Christophe Romier, Dina Robaa, Wolfgang Sippl

Open access · goldAbstract read
In one paragraph

Article in Molecules (Basel, Switzerland), 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.

0numbers the graph read from it
0cells of the map it votes in
9citing papers in PubMed
1.2field-weighted citation impact, top 22% 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

9 citing papers in PubMed, 21 citations in OpenAlex.

  1. Article
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  7. Design, synthesis, and biochemical and computational screening of novel oxindole derivatives as inhibitors of Aurora A kinase and SARS-CoV-2 spike/host ACE2 interaction.Medicinal chemistry research : an international journal for rapid communications on design and mechanisms of action of biologically active agents · 2024
    Article
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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 2 institutions in 2 countries.

Conrad V SimobenInstitute of Pharmacy, Martin-Luther University of Halle-Wittenberg, 06120 Halle (Saale), Germany.ORCID 0000-0002-5958-6961
Ehab GhazyInstitute of Pharmacy, Martin-Luther University of Halle-Wittenberg, 06120 Halle (Saale), Germany.
Patrik ZeyenInstitute of Pharmacy, Martin-Luther University of Halle-Wittenberg, 06120 Halle (Saale), Germany.
Salma DarwishInstitute of Pharmacy, Martin-Luther University of Halle-Wittenberg, 06120 Halle (Saale), Germany.
Matthias SchmidtInstitute of Pharmacy, Martin-Luther University of Halle-Wittenberg, 06120 Halle (Saale), Germany.ORCID 0000-0003-3876-2695
Christophe RomierDépartement de Biologie Structurale Intégrative, Institut de Génétique et Biologie Moléculaire et Cellulaire (IGBMC), University of Strasbourg, CNRS, INSERM, 1 rue Laurent Fries, CEDEX, 67404 Illkirch, France.
Dina RobaaInstitute of Pharmacy, Martin-Luther University of Halle-Wittenberg, 06120 Halle (Saale), Germany.
Wolfgang SipplInstitute of Pharmacy, Martin-Luther University of Halle-Wittenberg, 06120 Halle (Saale), Germany.ORCID 0000-0002-5985-9261
Martin Luther University Halle-Wittenberg · DECentre National de la Recherche Scientifique · FR

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Histone-modifying proteins have been identified as promising targets to treat several diseases including cancer and parasitic ailments.

Indexed as

Quantitative Structure-Activity RelationshipAnimalsDose-Response Relationship, DrugHelminth ProteinsHistone Deacetylase InhibitorsHistone DeacetylasesMolecular ConformationMolecular Docking SimulationMolecular Dynamics SimulationProtein BindingReproducibility of ResultsSchistosoma mansoniHelminth ProteinsHistone Deacetylase InhibitorsHistone Deacetylasesbinding free energy calculationshistone deacetylase inhibitorsquantitative structure–activity relationship (QSAR)Schistosoma mansoni

Identifiers

PMID33925246
PMCPMC8125515
OpenAlexW3158530589

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.