Assessment of FDA-Approved Antiviral Drugs Indicated for Different Viral Infections Against Crimean-Congo Hemorrhagic Fever Virus: Molecular Docking and Molecular Dynamics Simulations
1 Kirkuk Health Directorate, Kirkuk, Iraq.
2 Department of Biology, College of Sciences, University of Kirkuk, Kirkuk, Iraq.
3 Department of Chemistry, College of Sciences, University of Kirkuk, Kirkuk, Iraq.
Review
Open Access Research Journal of Biology and Pharmacy, 2026, 16(02), 001-015.
Article DOI: 10.53022/oarjbp.2026.16.2.0021
Publication history:
Received on 16 January 2026; revised on 05 March 2026; accepted on 07 March 2026
Abstract:
Background: Crimean-Congo hemorrhagic fever (CCHF) is a life-threatening viral disease characterized by high mortality rates and an increasing prevalence in endemic regions. Currently, no FDA-approved therapeutics are available for Crimean-Congo hemorrhagic fever virus (CCHFV) infection, and Ribavirin remains the only empirically used treatment option.
Method: In this study, we investigate the antiviral potential of six broad-spectrum agents Darunavir, Favipiravir, Nelfinavir, Remdesivir, Ritonavir, and Sofosbuvir against CCHFV using a structure-based drug design approach. Consensus molecular docking (MD), binding free energy calculations (MM-GBSA), and 100-nanosecond molecular dynamics simulations (MDS) were employed to evaluate the binding stability and affinity of these compounds to the viral target.
Results: Several agents, particularly Remdesivir, exhibited strong and stable interactions with the viral target, with binding energies comparable to or exceeding those of Ribavirin, indicating their potential efficacy.
Conclusion: Given their established antiviral activity against various RNA viruses, these agents merit further investigation as potential inhibitors of CCHFV replication, underscoring the promise of drug repurposing strategies for combating emerging viral threats.
Keywords:
Crimean-Congo Hemorrhagic Fever; Antiviral Drug Repurposing; Molecular Docking; Molecular Dynamic Simulation; Remdesivir
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