Evidence map›Paper›PMID 24879586›Full record

ArticleMolecules (Basel, Switzerland)2014

Conformational characterization of ipomotaosides and their recognition by COX-1 and 2.

Pablo R Arantes, Liana G Sachett, Cedric S Graebin, Hugo Verli

Abstract read
In one paragraph

Article in Molecules (Basel, Switzerland), 2014. 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
–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

1 citing paper in PubMed.

  1. Resin Glycosides withBiomolecules · 2025
    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

4 authors.

Pablo R ArantesCentro de Biotecnologia, Universidade Federal do Rio Grande do Sul, Avenida Bento Gonçalves 9500, CP 15005, Porto Alegre, RS 91500-970, Brazil. pabloarantes@cbiot.ufrgs.br.
Liana G SachettCentro de Biotecnologia, Universidade Federal do Rio Grande do Sul, Avenida Bento Gonçalves 9500, CP 15005, Porto Alegre, RS 91500-970, Brazil. lianasachett@cbiot.ufrgs.br.
Cedric S GraebinDepartamento de Química, Instituto de Ciências Exatas, Universidade Federal Rural do Rio de Janeiro, Cidade Universitária, Seropedica, RJ 23897-000, Brazil. cedric@ufrrj.br.
Hugo VerliCentro de Biotecnologia, Universidade Federal do Rio Grande do Sul, Avenida Bento Gonçalves 9500, CP 15005, Porto Alegre, RS 91500-970, Brazil. hverli@cbiot.ufrgs.br.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The aerial parts of Ipomoea batatas are described herein to produce four new resin glycosides, designated as ipomotaosides A, B, C, and D. Ipomotaoside A was found to present inhibitory activity on both cyclooxygenases. However, the conformational elucidation of these molecules may be difficult due to their high flexibility. In this context, the current work presents a conformational characterization of ipomotaosides A-D in aqueous and nonaqueous solvents. The employed protocol includes metadynamics evaluation and unrestrained molecular dynamics simulations (MD). The obtained data provided structural models for the ipomotaosides in good agreement with previous ROESY distances measured in pyridine. Accordingly, the most abundant conformation of ipomotaoside A in solution was employed in flexible docking studies, providing a structural basis for the compound's inhibition of COX enzymes. The so-obtained complex supports resin glycosides' role as original scaffolds for future studies, aiming at structural optimization and development of potential new anti-inflammatory agents.

Indexed as

Carbohydrate ConformationCarbohydrate SequenceCyclooxygenase 1Cyclooxygenase 2Cyclooxygenase InhibitorsGlycosidesIpomoea batatasMagnetic Resonance SpectroscopyMolecular Dynamics SimulationPlant ExtractsProtein BindingResins, PlantCyclooxygenase 1Cyclooxygenase 2Cyclooxygenase InhibitorsGlycosidesPlant ExtractsResins, Plant

Identifiers

PMID24879586
PMCPMC6270740

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.