Evidence map›Paper›PMID 29185472›Full record

ArticleScientific reports2017

Computational and NMR spectroscopy insights into the conformation of cyclic di-nucleotides.

Baifan Wang, Zhenghua Wang, Uroš Javornik, Zhen Xi, Janez Plavec

Open access · goldAbstract read
In one paragraph

Article in Scientific reports, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.

0numbers the graph read from it
0cells of the map it votes in
2citing papers in PubMed
1.6field-weighted citation impact, top 16% 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

2 citing papers in PubMed, 14 citations in OpenAlex.

  1. Article
  2. 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

5 authors at 3 institutions in 2 countries.

Baifan WangSlovenian NMR Center, National Institute of Chemistry, Hajdrihova 19, Ljubljana, Slovenia.
Zhenghua WangState Key Laboratory of Elemento-Organic Chemistry and Department of Chemical Biology, Nankai University, Collaborative Innovation Center of Chemical Science and Engineering, Tianjin, 300071, P. R. China.
Uroš JavornikSlovenian NMR Center, National Institute of Chemistry, Hajdrihova 19, Ljubljana, Slovenia.
Zhen XiState Key Laboratory of Elemento-Organic Chemistry and Department of Chemical Biology, Nankai University, Collaborative Innovation Center of Chemical Science and Engineering, Tianjin, 300071, P. R. China. zhenxi@nankai.edu.cn.
Janez PlavecSlovenian NMR Center, National Institute of Chemistry, Hajdrihova 19, Ljubljana, Slovenia. janez.plavec@ki.si.ORCID 0000-0003-1570-8602
Nankai University · CNNational Institute of Chemistry · SIUniversity of Ljubljana · SI

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Cyclic di-nucleotides (CDNs) are second messengers in bacteria and metazoan that are as such controlling important biological processes. Here the conformational space of CDNs was explored systematically by a combination of extensive conformational search and DFT calculations as well as NMR methods. We found that CDNs adopt pre-organized conformations in solution in which the ribose conformations are North type and glycosidic bond conformations are anti type. The overall flexibility of CDNs as well as the backbone torsion angles depend on the cyclization of the phosphodiester bond. Compared to di-nucleotides, CDNs display high rigidity in the macrocyclic moieties. Structural comparison studies demonstrate that the pre-organized conformations of CDNs highly resemble the biologically active conformations. These findings provide information for the design of small molecules to modulate CDNs signalling pathways in bacteria or as vaccine adjuvants. The rigidity of the backbone of CDNs enables the design of high order structures such as molecular cages based on CDNs analogues.

Indexed as

Magnetic Resonance SpectroscopyMolecular ConformationNucleotides, CyclicRiboseNucleotides, CyclicRibose

Identifiers

PMID29185472
PMCPMC5707406
OpenAlexW2770854674

What OpenQuestion holds

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LicenceCC BY
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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.