Evidence map›Paper›PMID 40277070›Full record

ArticleCurrent medicinal chemistry2026

Exploring Therapeutic Strategies against Monkeypox Virus Through Network Pharmacology and Bioinformatics Analysis.

Zafer Saad Al Shehri, Faez Falah Alshehri, Abdur Rehman

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Article in Current medicinal chemistry, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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1 · What the graph read from it

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3 · Its place in the literature

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4 · The record

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5 · Who and what money

Authors and funding

3 authors.

Zafer Saad Al ShehriDepartment of Medical Laboratories, College of Applied Medical Sciences, Shaqra University, Dawadmi, Riyadh, 19257, Saudi Arabia.
Faez Falah AlshehriDepartment of Medical Laboratories, College of Applied Medical Sciences, Shaqra University, Dawadmi, Riyadh, 19257, Saudi Arabia.
Abdur RehmanCenter of Bioinformatics, College of Life Sciences, Northwest A & F University, Yangling, 712100, Shaanxi, China.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

introductionThe emergence of the monkeypox virus (MPXV) as a zoonotic threat has necessitated the development of effective treatments, particularly after it spread to regions outside of Central and Western Africa, such as the 2003 outbreak in the United States. Our groundbreaking study identifies CDK1 and TOP2A as key proteins in the pathogenesis of MPXV infection, utilizing network pharmacology to target these proteins for the first time. CDK1 and TOP2A, previously known for their roles in cell reprogramming, emerge as critical targets in our strategy to combat the virus.

methodsBy targeting CDK1 and TOP2A, proteins integral to cell reprogramming, with small molecules identified in our study, such as carnosic acid, rosmarinic acid, and coclaurine, we propose a novel method not only to inhibit the replication of the monkeypox virus but also to harness cellular plasticity for therapeutic purposes. The identification and targeting of these proteins with specific compounds disrupt the virus's life cycle and simultaneously enhance the efficiency of cell reprogramming.

resultsThis dual-action approach leverages the inherent plasticity of cellular reprogramming processes to combat the virus, showcasing a pioneering step in the use of regenerative medicine principles for antiviral strategies. Moreover, molecular docking and dynamic simulations strengthen our findings by demonstrating a strong binding affinity between TOP2A and CDK1, validating the synergistic effects of our identified small molecules.

conclusionOur research thus opens new avenues for addressing viral threats like monkeypox, utilizing the convergence of virology, network pharmacology, and cellular reprogramming to pave the way for innovative treatments.

Indexed as

Antiviral AgentsComputational BiologyMonkeypox virusMpox, MonkeypoxNetwork PharmacologySmall Molecule LibrariesAnimalsCDC2 Protein KinaseDNA Topoisomerases, Type IIHumansMolecular Docking SimulationAntiviral AgentsCDC2 Protein KinaseDNA Topoisomerases, Type IISmall Molecule Librariesbioinformatics analysisdynamic simulationsligand interactionmolecular dockingMonkeypox virusnetwork pharmacology

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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.