Antiviral activity of essential oils from four plants against canine parvovirus: <i>In vitro</i> and <i>in silico</i> analyses

This study investigated the antiviral potential of essential oils (EOs) from <i>Cymbopogon citratus</i> (lemongrass), <i>Eucalyptus grandis</i> (eucalyptus), <i>Lavandula dentata</i> (lavender), and <i>Thymus vulgaris</i> (thyme) against canine parvovirus type 2 (CPV-2) through <i>in silico</i> and <i>in vitro</i> methods. <i>In silico</i> analysis identified 24 cavities in CPV-2’s VP2 protein, with four exhibiting druggability. Specific interactions between geranial, <i>p</i>-thymol, and 1,8-cineole with amino acids in these cavities suggested inhibitory potential. <i>In vitro</i> assays revealed significant reductions in viral load: eucalyptus and lemongrass EOs at 150 μg/mL reduced viral load by 76.32% and 62.85%, respectively, in pre-treatment. Lavender and lemongrass at 50 μg/mL and 150 μg/mL reduced viral load by 67.20% and 45.66%, respectively, in the adsorption assay, while lavender at 50 μg/mL and 75 μg/mL reduced it by up to 59.85% in the virucidal assay. These findings underscore the antiviral potential of the EOs, suggesting mechanisms of action elucidated by specific <i>in silico</i> interactions with amino acids. Further research is warranted to explore the clinical applicability and safety of these EOs as potential antiviral agents against CPV-2.