Abstract
The global re-emergence of the Monkeypox Virus (MPXV) has sparked renewed efforts to identify effective antiviral treatments. In this study, we conducted an in silico docking analysis using CB Dock2 to evaluate natural products and repurposed antiviral drugs. We focused on key viral targets for inhibition, including VP39 2'-O Methyltransferase, viral topoisomerase-DNA complexes, and poxin. Physalin A, Sitoindoside IX, Withanolide, Shatavarin 1, Kutkoside, and Berberine HCl were among the natural substances that our research identified as possible inhibitors. Furthermore, the most successful repurposed antiviral was found to be tecovirimat. Based on their Vina scores and binding affinities, the natural compounds Withanolide, Sitoindoside IX, and Physalin A showed encouraging inhibitory potential, providing hope for alternative treatment approaches. But among all examined targets, tecovirimat continued to be the most effective inhibitor, highlighting its ongoing significance in the battle against MPXV.