Background:
Lumpy skin disease (LSD) is a transboundary virus disease that mostly affects cattle. It has recently reported all over the world, which highlights the need for efficient control methods. LSD poses serious economic dangers worldwide.
Aim:
The aim of this study was to screen novel antiviral compounds for the control of LSD.
Methods:
By using in silico approach, ADMET, docking, and molecular simulations, this work was designed to investigate 13 active compounds for antiviral effects against LSDV.
Results:
ADMET study of the selected 13 compounds revealed that Apigenin-4'-glucoside and Vidarabine did not show any critical hazards. The docking study identified potential antiviral compounds against LSDV, with Apigenin-4'-glucoside (ΔG = -6.6 ± 1.1) and Vidarabine (ΔG = -5.53 ± 0.73) showing promising interactions with key viral proteins. Molecular dynamics simulations confirmed the stability and robustness of these interactions, suggesting their potential as effective antiviral agents.
Conclusion:
Molecular analyses verify the strong antiviral activity of apigenin-4'-glucoside against LSDV among the selected compounds. This work sheds light on the way to explore potent anti-LSDV molecule. Moreover, the outcome of the study should screen after more extensive clinical studies.
Key words: Lumpy skin disease, ADMET, Antiviral, Molecular simulations
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