Computational study identities FDA-approved drugs that could be repurposed to treat Mpox infections

Mpox News: Monkeypox, a viral disease caused by the monkeypox virus (MPXV), has reemerged as a significant global health threat. With recent outbreaks in multiple countries, there is an urgent need for effective treatments to combat this disease. A collaborative study involving researchers from Jadavpur University in India and the Alan Turing Institute in the UK has identified several FDA-approved drugs that could be repurposed to treat monkeypox. This Mpox News report explores the findings of this study, which utilized advanced computational techniques to pinpoint potential therapeutic candidates.


Computational study identities FDA-approved drugs that could be repurposed to treat
Mpox infections

The Urgent Need for Effective Monkeypox Treatments
Monkeypox is a zoonotic disease that presents symptoms such as fever, swollen lymph nodes, and a characteristic skin rash. Despite the eradication of smallpox, monkeypox continues to be a concern, especially given its ability to spread and the lack of a specific antiviral treatment. The World Health Organization (WHO) reported over 500 new cases of monkeypox in April 2024, underscoring the need for urgent medical interventions.
 
Recent studies by the US.NIH has shown that the current U.S. FDA approved drug to treat Mpox i.e. Tecovirimat or TPOXX, is not really effective in treating Mpox especially with the new Clade 1B strain.
https://www.thailandmedical.news/news/u-s-nih-finds-that-tecovirimat-the-mpox-drug-many-countries-were-stockpiling-is-not-effective-against-the-new-clade-1-strain
 
Developing new antiviral drugs is a time-consuming and costly process. However, repurposing existing FDA-approved drugs offers a quicker and potentially less risky alternative. This article highlights a recent study that identified several such drugs using cutting-edge computational methods.
 
Identifying Potential Drugs through Computational Analysis
The study team used a deep learning-based computational approach to predict Protein-Protein Interactions (PPIs) during MPXV infection. The objective was to identify human proteins that interact with the virus and to find FDA-approved drugs that could potentially disrupt these interactions, thereby inhibiting the virus's ability to replicate and spread.
 
By analyzing large datasets, including the Human Integrated Protein-Protein Interaction Reference (HIPPIE) and MPXV-Human PPI datasets, the researchers identified several FDA-approved drugs as promising candidates for repurposing against monkeypox. This article focuses on the key drugs identified in the study and their potential mechanisms of action.
 
Key Drugs Identified for Repurposing Against Monkeypox
The study identified six FDA-approved drugs with the potential to be repurposed for treating m onkeypox. These drugs were selected based on their ability to target specific human proteins involved in the virus's life cycle:
 
-Nicotinamide Adenine Dinucleotide (NADH): NADH was identified as the top candidate due to its strong binding affinity to MPXV proteins. NADH plays a crucial role in cellular energy production and has been shown to interact with viral proteins, potentially disrupting the virus's ability to replicate.
 
-Fostamatinib: An FDA-approved drug used primarily to treat chronic immune thrombocytopenia, Fostamatinib was identified as another promising candidate. It works by inhibiting spleen tyrosine kinase (SYK), a protein that plays a role in the immune response. The study suggests that Fostamatinib could interfere with MPXV's ability to manipulate the host's immune system.
 
-Glutamic Acid: Glutamic acid, an amino acid used in various metabolic processes, was also highlighted as a potential repurposed drug. The study found that it could bind to specific MPXV proteins, potentially inhibiting viral replication.
 
-Cannabidiol (CBD): Known for its use in treating epilepsy and chronic pain, Cannabidiol was identified as a candidate due to its interactions with MPXV proteins. The study suggests that CBD could disrupt the virus's ability to enter and infect human cells.
 
-Copper: Copper, an essential trace element with known antimicrobial properties, was identified as a potential inhibitor of MPXV. The study found that copper could interfere with viral protein function, making it a candidate for further investigation.
 
-Zinc: Like copper, zinc is an essential mineral with antiviral properties. The study identified zinc as another potential candidate for repurposing, based on its ability to bind to MPXV proteins and disrupt their function.
 
Validation through Molecular Docking and Dynamics Simulation
To validate the potential of these drugs, the researchers conducted molecular docking studies, which assess how well these drugs bind to MPXV proteins. NADH, in particular, demonstrated the highest binding affinity, suggesting that it could be a strong candidate for further development. This was supported by Molecular Dynamics (MD) simulations, which confirmed the stability of the drug-protein interactions.
 
The study's findings indicate that these repurposed drugs could provide a viable treatment option for monkeypox, pending further clinical trials. The study findings emphasize the importance of these computational methods in rapidly identifying potential treatments for emerging viral threats.
 
Implications for Future Research and Public Health
This study highlights the potential of repurposing existing drugs to address urgent public health threats like monkeypox. The use of computational techniques to predict drug efficacy offers a faster and more cost-effective approach than traditional drug development. As new viral threats emerge, these methods could play a critical role in global pandemic preparedness.
 
The next steps would be to actually conducted observational clinical trials followed by proper and detailed randomized clinical trials involving large cohorts before these drugs can be used to treat Mpox infections.
 
Conclusion
In conclusion, the study represents a significant advancement in the search for effective monkeypox treatments. By repurposing FDA-approved drugs such as NADH, Fostamatinib, and Cannabidiol, the study offers hope for rapid and effective responses to this reemerging viral threat.
 
The study findings were published in the peer-reviewed journal: Scientific Reports.
 
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https://www.thailandmedical.news/news/a-deep-dive-into-the-immunopathogenesis-of-mpox-monkeypox-infections