Evidence map›Paper›PMID 41608076›Full record

ArticleBioMed research international2026

In Silico Identification of Antiviral Peptides as Potential Leads Against Sudan Ebolavirus VP-40.

Boniface Omara, Kenedy Kiyimba, Fatoumata G Fofana, Oudou Diabaté, Walter Odur, Daudi Jjingo, Jacob Stanley Iramiot, Peace Draleru, Joan Achia, Muhammad Shafiq and 3 more

Abstract read
In one paragraph

Article in BioMed research international, 2026. 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. 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

13 authors.

Boniface OmaraDepartment of Pathology, Faculty of Health Sciences, Busitema University, Mbale, Uganda, busitema.ac.ug.ORCID https://orcid.org/0009-0003-5086-8318
Kenedy KiyimbaDepartment of Pharmacology and Therapeutics, Faculty of Health Sciences, Busitema University, Mbale, Uganda, busitema.ac.ug.ORCID https://orcid.org/0000-0001-8031-9051
Fatoumata G FofanaAfrican Centre of Excellence in Bioinformatics and Data Sciences (ACE-Mali), University of Sciences Techniques and Technologies of Bamako (USTTB), Bamako, Mali.ORCID https://orcid.org/0000-0002-0033-9827
Oudou DiabatéAfrican Centre of Excellence in Bioinformatics and Data Sciences (ACE-Mali), University of Sciences Techniques and Technologies of Bamako (USTTB), Bamako, Mali.ORCID https://orcid.org/0009-0003-0284-7440
Walter OdurAfrican Centre of Excellence in Bioinformatics and Data Intensive Sciences (ACE-Uganda) Infectious Diseases Institute (IDI), McKinnell Knowledge Centre, Makerere University, Kampala, Uganda, mak.ac.ug.ORCID https://orcid.org/0009-0004-3818-4949
Daudi JjingoAfrican Centre of Excellence in Bioinformatics and Data Intensive Sciences (ACE-Uganda) Infectious Diseases Institute (IDI), McKinnell Knowledge Centre, Makerere University, Kampala, Uganda, mak.ac.ug.ORCID https://orcid.org/0000-0003-1685-9234
Jacob Stanley IramiotDepartment of Microbiology and Immunology, Faculty of Health Sciences, Busitema University, Mbale, Uganda, busitema.ac.ug.ORCID https://orcid.org/0000-0002-9239-6641
Peace DraleruDepartment of Anatomy, Faculty of Health Sciences, Busitema University, Mbale, Uganda, busitema.ac.ug.ORCID https://orcid.org/0009-0003-9609-3722
Joan AchiaDepartment of Biotechnical and Diagnostic Sciences, College of Veterinary Medicine, Animal Resources and Biosecurity, Makerere University, Kampala, Uganda, mak.ac.ug.ORCID https://orcid.org/0009-0009-5724-5061
Muhammad ShafiqH. E. J. Research Institute of Chemistry, International Centre of Chemical and Biological Sciences, University of Karachi, Karachi, Pakistan, uok.edu.pk.ORCID https://orcid.org/0009-0007-8370-9056
Zaheer Ul-HaqH. E. J. Research Institute of Chemistry, International Centre of Chemical and Biological Sciences, University of Karachi, Karachi, Pakistan, uok.edu.pk.ORCID https://orcid.org/0000-0002-8530-8711
Hedmon OkellaPharm-Biotechnology and Traditional Medicine Centre, Mbarara University of Science and Technology, Mbarara, Uganda, must.ac.ug.ORCID https://orcid.org/0000-0002-4314-0674
Steven OdongoDepartment of Biotechnical and Diagnostic Sciences, College of Veterinary Medicine, Animal Resources and Biosecurity, Makerere University, Kampala, Uganda, mak.ac.ug.ORCID https://orcid.org/0000-0002-8503-8897

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The continued reemergence of Ebola virus epidemics remains a global health concern, largely due to limited therapeutic interventions. This study is aimed at identifying and characterizing antiviral peptides as potential lead candidates against the Sudan Ebola virus. We retrieved antiviral peptides from the AVPdb and designed novel peptides from them using support vector machine, RF, and discriminant analysis algorithms. The toxicity and allergenicity predictions were performed using ToxinPred, ADMETLab 3.0, Allertop, and AllergenFP web servers, respectively. The 3D structures of selected peptides were modeled using PEP-FOLD and I-TASSER and validated using ProSA and PROCHECK web servers. The best peptide models were docked against the Sudan Ebola virus VP-40 protein using HDOCK and ClusPro. Molecular dynamics (MD) simulations were then carried out in GROMACS 2024.2. Out of 170 designed motifs, 30 exhibited antiviral potential with antiviral scores ranging from 0.506 to 1.000. Among the predicted antiviral peptides, five demonstrated favorable stability, nontoxicity, and nonallergenic properties. PEP-FOLD produced more stable peptide structures than I-TASSER, with over 84.6% of their amino acids in the most favorable region. Binding energies ranged from -252.39 to -145.83 kcal/mol (HDOCK) and from -887.7 to -538.7 units (ClusPro). The MD simulations confirmed high stability, with motif A10_M showing the strongest binding and structural compactness. Five peptides show strong potential as therapeutic leads against Sudan Ebola virus; however, further experimental validation is recommended.

Indexed as

Antiviral AgentsEbolavirusHemorrhagic Fever, EbolaPeptidesViral Matrix ProteinsAmino Acid SequenceComputer SimulationHumansMolecular Docking SimulationMolecular Dynamics SimulationAntiviral AgentsPeptidesViral Matrix ProteinsVP40 protein, virusantiviral peptidesmolecular dockingmolecular dynamics simulationSudan Ebolavirustherapeutic leads

Identifiers

PMID41608076
PMCPMC12835197

What OpenQuestion holds

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LicenceCC BY
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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.