Abstract
BACKGROUND: Lumpy skin disease (LSD) is a transboundary virus disease that mostly affects cattle. It has recently been 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 Lumpy skin disease virus (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.