Evidence map›Paper›PMID 36146532›Full record

ArticleVaccines2022

In-Silico Molecular Modeling Studies to Identify Novel Potential Inhibitors of HPV E6 Protein.

Moujane Soumia, Halima Hajji, Mohamed El Mzibri, Filali Zegzouti Younes, Bouachrine Mohammed, Benlyas Mohamed, Moualij Benaissa

Open access · goldAbstract read
In one paragraph

Article in Vaccines, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 papers.

0numbers the graph read from it
0cells of the map it votes in
8citing papers in PubMed
2.8field-weighted citation impact, top 9% 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

8 citing papers in PubMed, 21 citations in OpenAlex.

  1. Article
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  8. Current medicinal chemistry · 2024
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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

7 authors at 3 institutions in 1 country.

Moujane SoumiaBiochemistry of Natural Substances, Faculty of Science and Techniques, Moulay Ismail University, Errachdia 50003, Morocco.
Halima HajjiMolecular Chemistry and Natural Substances Laboratory, Faculty of Science, Moulay Ismail University, Meknes 52202, Morocco.
Mohamed El MzibriBiology and Medical Research Unit, National Centre for Energy, Nuclear Sciences and Techniques (CNESTEN), Rabat 10001, Morocco.
Filali Zegzouti YounesLABASE Laboratory, Faculty of Science of Meknes, Moulay Ismail University, Meknes 52202, Morocco.
Bouachrine MohammedMolecular Chemistry and Natural Substances Laboratory, Faculty of Science, Moulay Ismail University, Meknes 52202, Morocco.
Benlyas MohamedBiochemistry of Natural Substances, Faculty of Science and Techniques, Moulay Ismail University, Errachdia 50003, Morocco.
Moualij BenaissaBiochemistry of Natural Substances, Faculty of Science and Techniques, Moulay Ismail University, Errachdia 50003, Morocco.
Université Moulay Ismail de Meknes · MANational Centre for Nuclear Energy, Science and Technology · MAUniversité Sultan Moulay Slimane · MA

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The etiological agent of some anogenital tract cancers is infection with the high-risk human papillomavirus (HPV). Currently, prophylactic vaccines against HPV have been validated, but the presence of drug treatment directed against the infection and its oncogenic effects remain essential. Among the best drug targets, viral oncoprotein E6 has been identified as a key factor in cell immortalization and tumor progression in HPV-positive cells. E6, through interaction with the cellular ubiquitin ligase E6AP, can promote the degradation of p53, a tumor suppressor protein. Therefore, suppression of the creation of the E6-E6AP complex is one of the essential strategies to inhibit the survival and proliferation of infected cells. In the present study, we proposed an in-silico approach for the discovery of small molecules with inhibitory activity on the E6-E6AP interaction. The first three compounds (F0679-0355, F33774-0275, and F3345-0326) were selected on the basis of virtual screening and prediction of the molecules' ADMET properties and docking with E6 protein, these molecules were selected for further study by investigating their stability in the E6 complex and their inhibitory effect on the E6-E6AP interaction by molecular dynamics (MD) simulation. The identified molecules thus represent a good starting point for the development of anti-HPV drugs.

Indexed as

ADMET propertiescervical cancerdockingE6-E6APMD simulationsvirtual screening

Identifiers

PMID36146532
PMCPMC9505724
OpenAlexW4295094713

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.