ArticleMolecular diversity2023
In silico identification of potential inhibitors of vital monkeypox virus proteins from FDA approved drugs.
Article in Molecular diversity, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 19 papers.
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Who cites it
19 citing papers in PubMed, 41 citations in OpenAlex.
- Exploration of the protein and pharmacological landscape of monkeypox virus treatment: from entry point to end point.Molecular diversity · 2026Review
- Computational Discovery of Novel Monkeypox Virus DNA Polymerase Inhibitors from the Zinc20 Database.Current issues in molecular biology · 2026Article
- Investigating Marine Natural Products as Potential Antivirals of Mpox Virus Replication by Targeting Thymidylate Kinase.ACS omega · 2026Article
- Computational prediction of cyclotides from Viola odorata as potential inhibitors against the neuraminidase of Streptococcus pneumoniae.Molecular diversity · 2026Article
- Targeting monkeypox virus (MPXV): strategies for molecular docking studies on protein inhibition.Virus genes · 2025Review
- Virtual screening and identification of potent phytoconstituents from Acorus calamus L. as inhibitors of Monkeypox virus infection.Journal, genetic engineering & biotechnology · 2025Article
- Functional characterization and structural prediction of hypothetical proteins in monkeypox virus and identification of potential inhibitors.Molecular diversity · 2025Article
- Repurposing doxycycline for the inhibition of monkeypox virus DNA polymerase: a comprehensive computational study.In silico pharmacology · 2025Article
- Exploring the Dynamics ofCurrent medicinal chemistry · 2025Article
- In silico identification of potential phytochemical inhibitors for mpox virus: molecular docking, MD simulation, and ADMET studies.Molecular diversity · 2024Article
- Exploring Monkeypox: prospects for therapeutics through computational-aided drug discovery.Molecular diversity · 2024Review
- Computational prediction of phytochemical inhibitors against the cap-binding domain of Rift Valley fever virus.Molecular diversity · 2024Article
- Expression analysis and mapping of Viral-Host Protein interactions of Poxviridae suggests a lead candidate molecule targeting Mpox.BMC infectious diseases · 2024Article
- Article
- Drug repurposing for Mpox: Discovery of small molecules as potential inhibitors against DNA-dependent RNA polymerase using molecular modeling approach.Journal of cellular biochemistry · 2023Article
- Molecular docking of monkeypox (mpox) virus proteinase with FDA approved lead molecules.Journal of infection and public health · 2023Article
- AI-driven drug repurposing and binding pose meta dynamics identifies novel targets for monkeypox virus.Journal of infection and public health · 2023Article
- Emergence of monkeypox: a worldwide public health crisis.Human cell · 2023Review
- An overview on monkeypox virus: Pathogenesis, transmission, host interaction and therapeutics.Frontiers in cellular and infection microbiology · 2023Review
Corrections and comments
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Authors and funding
8 authors at 2 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The World Health Organization (WHO) recently declared the monkeypox outbreak 'A public health emergency of international concern'. The monkeypox virus belongs to the same Orthopoxvirus genus as smallpox. Although smallpox drugs are recommended for use against monkeypox, monkeypox-specific drugs are not yet available. Drug repurposing is a viable and efficient approach in the face of such an outbreak. Therefore, we present a computational drug repurposing study to identify the existing approved drugs which can be potential inhibitors of vital monkeypox virus proteins, thymidylate kinase and D9 decapping enzyme. The target protein structures of the monkeypox virus were modelled using the corresponding protein structures in the vaccinia virus. We identified four potential inhibitors namely, Tipranavir, Cefiderocol, Doxorubicin, and Dolutegravir as candidates for repurposing against monkeypox virus from a library of US FDA approved antiviral and antibiotic drugs using molecular docking and molecular dynamics simulations. The main goal of this in silico study is to identify potential inhibitors against monkeypox virus proteins that can be further experimentally validated for the discovery of novel therapeutic agents against monkeypox disease.
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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.