Evidence map›Paper›PMID 34593970›Full record

ArticleScientific reports2021

Theoretical and experimental study of interaction of macroheterocyclic compounds with ORF3a of SARS-CoV-2.

Natalia Sh Lebedeva, Yury A Gubarev, Galina M Mamardashvili, Svetlana V Zaitceva, Sergey A Zdanovich, Alena S Malyasova, Julia V Romanenko, Mikhail O Koifman, Oskar I Koifman

Open access · goldAbstract read
In one paragraph

Article in Scientific reports, 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
2.0field-weighted citation impact, top 14% 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, 22 citations in OpenAlex.

  1. Article
  2. Review
  3. Review
  4. Article
  5. Complexation ability of tetrasulfosubstituted cobalt(II) phthalocyanine toward ORF3a protein of SARS-CoV-2 virus.Russian chemical bulletin = Izvestiia Akademii nauk. Seriia khimicheskaia · 2023
    Article
  6. Article
  7. Article
  8. Article
  9. Viroporins: Structure, function, and their role in the life cycle of SARS-CoV-2.The international journal of biochemistry & cell biology · 2022
    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

9 authors at 2 institutions in 1 country.

Natalia Sh LebedevaG.A. Krestov Institute of Solution Chemistry of the Russian Academy of Sciences, 153045, Ivanovo, Russia.
Yury A GubarevG.A. Krestov Institute of Solution Chemistry of the Russian Academy of Sciences, 153045, Ivanovo, Russia. gua@isc-ras.ru.
Galina M MamardashviliG.A. Krestov Institute of Solution Chemistry of the Russian Academy of Sciences, 153045, Ivanovo, Russia.
Svetlana V ZaitcevaG.A. Krestov Institute of Solution Chemistry of the Russian Academy of Sciences, 153045, Ivanovo, Russia.
Sergey A ZdanovichG.A. Krestov Institute of Solution Chemistry of the Russian Academy of Sciences, 153045, Ivanovo, Russia.
Alena S MalyasovaIvanovo State University of Chemistry and Technology, 153000, Ivanovo, Russia.
Julia V RomanenkoIvanovo State University of Chemistry and Technology, 153000, Ivanovo, Russia.
Mikhail O KoifmanG.A. Krestov Institute of Solution Chemistry of the Russian Academy of Sciences, 153045, Ivanovo, Russia.
Oskar I KoifmanG.A. Krestov Institute of Solution Chemistry of the Russian Academy of Sciences, 153045, Ivanovo, Russia.
Institute of Solution Chemistry · RUIvanovo State University of Chemistry and Technology · RU

Funding

Russian Foundation for Basic Research 20-04-60108
6 · The paper itself

Abstract

The pandemic infectious disease (Covid-19) caused by the coronavirus (SARS-CoV2) is spreading rapidly around the world. Covid-19 does an irreparable harm to the health and life of people. It also has a negative financial impact on the economies of most countries of the world. In this regard, the issue of creating drugs aimed at combating this disease is especially acute. In this work, molecular docking was used to study the docking of 23 compounds with QRF3a SARS-CoV2. The performed in silico modeling made it possible to identify leading compounds capable of exerting a potential inhibitory and virucidal effect. The leading compounds include chlorin (a drug used in PDT), iron(III)protoporphyrin (endogenous porphyrin), and tetraanthraquinone porphyrazine (an exogenous substance). Having taken into consideration the localization of ligands in the QRF3a SARS-CoV2, we have made an assumption about their influence on the pathogenesis of Covid-19. The interaction of chlorin, iron(III)protoporphyrin and protoporphyrin with the viral protein ORF3a were studied by fluorescence and UV-Vis spectroscopy. The obtained experimental results confirm the data of molecular docking. The results showed that a viral protein binds to endogenous porphyrins and chlorins, moreover, chlorin is a competitive ligand for endogenous porphyrins. Chlorin should be considered as a promising drug for repurposing.

Indexed as

Antiviral AgentsBinding SitesCOVID-19 Drug TreatmentDrug RepositioningHeterocyclic CompoundsLigandsMacrocyclic CompoundsMolecular Docking SimulationPorphyrinsProtoporphyrinsSARS-CoV-2Viroporin ProteinsAntiviral AgentschlorinHeterocyclic CompoundsLigandsMacrocyclic CompoundsORF3a protein, SARS-CoV-2Porphyrinsprotoporphyrin IXProtoporphyrinsViroporin Proteins

Identifiers

PMID34593970
PMCPMC8484456
OpenAlexW3204765510

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Registered trials

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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.