ArticleIndian journal of pharmacology2025
In silico drug repurposing targeting fusion and nucleoprotein of human metapneumovirus: A step toward pandemic preparedness.
Article in Indian journal of pharmacology, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
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.
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.
Who cites it
1 citing paper in PubMed.
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
7 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
backgroundHuman metapneumovirus (HMPV) is an emerging respiratory pathogen affecting children, elderly individuals, and immunocompromised patients. Despite its disease burden, no antiviral treatment has been approved to date.
objectiveThe present study aimed to identify the Food and Drug Administration-approved drugs with potential for repurposing against HMPV by targeting its key structural proteins-fusion (F) and nucleoprotein (N). MATERIALS AND
methodsThe crystallographic structures of HMPV fusion (Protein Data Bank [PDB] ID: 5WB0) and nucleoprotein (PDB ID: 5FVD) were retrieved, validated, and subjected to molecular docking. Ligands with favorable binding scores were further evaluated using molecular dynamics simulations and binding-free-energy calculations. Pharmacokinetic and toxicity profiles were predicted to assess their translational viability.
resultsFor the fusion protein, rutin, carbetocin, and acarbose showed strong binding affinities and stable molecular interactions. For the nucleoprotein, mobocertinib, lapatinib, and levetiracetam emerged as top candidates, with mobocertinib showing the most favorable binding energy. Among all, levetiracetam displayed the most drug-like characteristics, including high gastrointestinal absorption, no major cytochrome P450 inhibition, and no violations of Lipinski's rule.
conclusionThe study highlights mobocertinib, rutin, and levetiracetam as promising repurposed drugs against HMPV. While mobocertinib exhibited the strongest predicted binding affinity, levetiracetam demonstrated the best pharmacokinetic profile, making it a particularly viable candidate for further experimental validation. These results validate the usefulness of in silico drug repurposing in addressing unmet antiviral needs and warrant preclinical studies to evaluate therapeutic efficacy.
Indexed as
Identifiers
What OpenQuestion holds
Registered trials
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.