Evidence map›Paper›PMID 35746766›Full record

ArticleViruses2022

Borneol Ester Derivatives as Entry Inhibitors of a Wide Spectrum of SARS-CoV-2 Viruses.

Olga I Yarovaya, Dmitriy N Shcherbakov, Sophia S Borisevich, Anastasiya S Sokolova, Maxim A Gureev, Edward M Khamitov, Nadezda B Rudometova, Anastasiya V Zybkina, Ekaterina D Mordvinova, Anna V Zaykovskaya and 4 more

Abstract read
In one paragraph

Article in Viruses, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.

0numbers the graph read from it
0cells of the map it votes in
11citing 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

11 citing papers in PubMed.

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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

14 authors.

Olga I YarovayaDepartment of Medicinal Chemistry, N.N. Vorozhtsov Novosibirsk Institute of Organic Chemistry SB RAS, Lavrentiev ave., 9, 630090 Novosibirsk, Russia.ORCID 0000-0002-2333-4893
Dmitriy N ShcherbakovState Research Center of Virology and Biotechnology VECTOR, Rospotrebnadzor, 630559 Koltsovo, Russia.ORCID 0000-0001-8023-4453
Sophia S BorisevichLaboratory of Chemical Physics Ufa Institute of Chemistry, Ufa Federal Research Center, RAS, Octyabrya pr., 71, 450054 Ufa, Russia.ORCID 0000-0001-8481-0470
Anastasiya S SokolovaDepartment of Medicinal Chemistry, N.N. Vorozhtsov Novosibirsk Institute of Organic Chemistry SB RAS, Lavrentiev ave., 9, 630090 Novosibirsk, Russia.
Maxim A GureevResearch Center "Digital Biodesign and Personalized Healthcare", I.M. Sechenov First Moscow State Medical University, Trubetskaya str., 8/2, 119991 Moscow, Russia.ORCID 0000-0002-0385-922X
Edward M KhamitovLaboratory of Chemical Physics Ufa Institute of Chemistry, Ufa Federal Research Center, RAS, Octyabrya pr., 71, 450054 Ufa, Russia.ORCID 0000-0001-8987-4254
Nadezda B RudometovaState Research Center of Virology and Biotechnology VECTOR, Rospotrebnadzor, 630559 Koltsovo, Russia.
Anastasiya V ZybkinaState Research Center of Virology and Biotechnology VECTOR, Rospotrebnadzor, 630559 Koltsovo, Russia.
Ekaterina D MordvinovaDepartment of Medicinal Chemistry, N.N. Vorozhtsov Novosibirsk Institute of Organic Chemistry SB RAS, Lavrentiev ave., 9, 630090 Novosibirsk, Russia.
Anna V ZaykovskayaState Research Center of Virology and Biotechnology VECTOR, Rospotrebnadzor, 630559 Koltsovo, Russia.
Artem D RogachevDepartment of Medicinal Chemistry, N.N. Vorozhtsov Novosibirsk Institute of Organic Chemistry SB RAS, Lavrentiev ave., 9, 630090 Novosibirsk, Russia.ORCID 0000-0002-3338-8529
Oleg V PyankovState Research Center of Virology and Biotechnology VECTOR, Rospotrebnadzor, 630559 Koltsovo, Russia.
Rinat A MaksyutovState Research Center of Virology and Biotechnology VECTOR, Rospotrebnadzor, 630559 Koltsovo, Russia.
Nariman F SalakhutdinovDepartment of Medicinal Chemistry, N.N. Vorozhtsov Novosibirsk Institute of Organic Chemistry SB RAS, Lavrentiev ave., 9, 630090 Novosibirsk, Russia.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

In the present work we studied the antiviral activity of the home library of monoterpenoid derivatives using the pseudoviral systems of our development, which have glycoproteins of the SARS-CoV-2 virus strains Wuhan and Delta on their surface. We found that borneol derivatives with a tertiary nitrogen atom can exhibit activity at the early stages of viral replication. In order to search for potential binding sites of ligands with glycoprotein, we carried out additional biological tests to study the inhibition of the re-receptor-binding domain of protein S. For the compounds that showed activity on the pseudoviral system, a study using three strains of the infectious SARS-CoV-2 virus was carried out. As a result, two leader compounds were found that showed activity on the Wuhan, Delta, and Omicron strains. Based on the biological results, we searched for the potential binding site of the leader compounds using molecular dynamics and molecular docking methods. We suggested that the compounds can bind in conserved regions of the central helices and/or heptad repeats of glycoprotein S of SARS-CoV-2 viruses.

Indexed as

COVID-19SARS-CoV-2Antiviral AgentsCamphanesEstersHumansMolecular Docking SimulationMolecular Dynamics SimulationSpike Glycoprotein, CoronavirusAntiviral AgentsCamphanesEstersisoborneolSpike Glycoprotein, Coronavirusspike protein, SARS-CoV-2borneolcoronavirus surface protein S-spikemolecular dockingmolecular dynamicspseudoviral systemSARS-CoV-2terpene

Identifiers

PMID35746766
PMCPMC9228966

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.