Evidence map›Paper›PMID 34997307›Full record

ArticleJournal of molecular modeling2022

Prediction of molecular interactions and physicochemical properties relevant for vasopressin V2 receptor antagonism.

Ania de la Nuez Veulens, Yoanna M Álvarez Ginarte, Rolando E Rodríguez Fernandez, Fabrice Leclerc, Luis A Montero Cabrera

Open access · greenAbstract read
PubMed Publisher
In one paragraph

Article in Journal of molecular modeling, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing papers in PubMed
0.7field-weighted citation impact, top 29% 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

1 citing paper in PubMed, 3 citations in OpenAlex.

  1. 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

5 authors at 2 institutions in 2 countries.

Ania de la Nuez VeulensDepartment of Biochemistry, Faculty of Biology, University of Havana, Havana, Cuba. ania.delanuez@fbio.uh.cu.
Yoanna M Álvarez GinarteLaboratory of Computational and Theoretical Chemistry, Faculty of Chemistry, University of Havana, Havana, Cuba.
Rolando E Rodríguez FernandezDNAdigest Inc, Cambridge, UK.
Fabrice LeclercI2BC CNRS-CEA-Université Paris Sud, Paris Saclay, Gif-sur-Yvette, France.
Luis A Montero CabreraLaboratory of Computational and Theoretical Chemistry, Faculty of Chemistry, University of Havana, Havana, Cuba.
University of Havana · CUUniversité Paris-Saclay · FR

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

We have developed two ligand- and receptor-based computational approaches to study the physicochemical properties relevant to the biological activity of vasopressin V2 receptor (V2R) antagonist and eventually to predict the expected binding mode to V2R. The obtained quantitative structure activity relationship (QSAR) model showed a correlation of the antagonist activity with the hydration energy (E

Indexed as

Chemical PhenomenaModels, MolecularAlgorithmsAmino Acid SequenceAntidiuretic Hormone Receptor AntagonistsBinding SitesCluster AnalysisLigandsMolecular ConformationMolecular Docking SimulationMolecular Dynamics SimulationMolecular StructureProtein BindingQuantitative Structure-Activity RelationshipReceptors, VasopressinStructure-Activity RelationshipAntidiuretic Hormone Receptor AntagonistsLigandsReceptors, VasopressinAVPDockingGPCRMolecular dynamics simulationsQSARV2RVasopressin antagonist

Identifiers

PMID34997307
OpenAlexW4226245325

What OpenQuestion holds

Textmetadata
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.