Evidence map›Paper›PMID 39812068›Full record

ArticleMedicinal chemistry (Shariqah (United Arab Emirates))2025

Identification of Natural Terpenoid Compounds as Potential Inhibitors of Nucleoprotein of Influenza A Virus using

Md Saddam Hossain, Md Mosahaq Ali, Prithbey Raj Dey, Md Parvez Khandocar, S M Jahurul Haque, Yousef A Bin Jardan, Samir Ibenmoussa, Mohammed Bourhia

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Article in Medicinal chemistry (Shariqah (United Arab Emirates)), 2025. 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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5 · Who and what money

Authors and funding

8 authors.

Md Saddam HossainDepartment of Biomedical Engineering, Faculty of Engineering and Technology, Islamic University, Kushtia-7003, Bangladesh.
Md Mosahaq AliDepartment of Biomedical Engineering, Faculty of Engineering and Technology, Islamic University, Kushtia-7003, Bangladesh.
Prithbey Raj DeyDepartment of Industrial and Production Engineering, Faculty of Mechanical Engineering, Dhaka University of Engineering and Technology, Gazipur-1707, Bangladesh.
Md Parvez KhandocarDepartment of Biomedical Engineering, Faculty of Engineering and Technology, Islamic University, Kushtia-7003, Bangladesh.
S M Jahurul HaqueDepartment of Biomedical Engineering, Faculty of Engineering and Technology, Islamic University, Kushtia-7003, Bangladesh.
Yousef A Bin JardanDepartment of Pharmaceutics, College of Pharmacy, King Saud University, P.O. Box 11451, Riyadh, Saudi Arabia.
Samir IbenmoussaLaboratory of Therapeutic and Organic Chemistry, Faculty of Pharmacy, University of Montpellier, Montpellier 34000 France.
Mohammed BourhiaLaboratory of Biotechnology and Natural Resources Valorization, Faculty of Sciences of Agadir, Ibn Zohr University, Agadir, Morocco.

Funding

Researchers Supporting Project, King Saud University, Riyadh, Saudi Arabia RSP2025R457
6 · The paper itself

Abstract

backgroundWe continue to struggle with the prevention and treatment of the influenza virus. The 2009 swine flu pandemic, caused by the H1N1 strain of influenza A, resulted in numerous fatalities. The threat of influenza remains a significant concern for global health, and the development of novel drugs targeting these viruses is highly desirable.

objectiveThe objective of this study is to explore the inhibitory potential of terpenoid compounds against the Nucleoprotein (NP) of influenza A virus, which is a highly effective drug target due to its ability to facilitate the transcription and replication of viral RNA.

methods

resultDocking studies revealed that the terpenoid compounds bind strongly to the active site residues of the NP protein. Molecular dynamics simulations demonstrated the stability of the proteinligand complexes for the best-hit compounds. ADMET studies and Lipinski's filter indicated that the compounds exhibit desirable drug safety and drug-likeness profiles.

conclusionThis work may contribute significantly to drug discovery and the development of therapeutic agents against the influenza A virus. The identification of terpenoid compounds that bind strongly to the NP protein and exhibit favorable drug-like properties through in silico studies provides a promising foundation for further research and the development of potential inhibitors targeting this critical viral protein.

Indexed as

Antiviral AgentsBiological ProductsInfluenza A virusInfluenza A Virus, H1N1 SubtypeMolecular Docking SimulationMolecular Dynamics SimulationNucleoproteinsTerpenesHumansAntiviral AgentsBiological ProductsNucleoproteinsTerpenesADMETinfluenza AMD simulations.molecular dockingnucleoproteinTerpenoid

Identifiers

PMID39812068

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