Background: Jatropha gossypifolia, a plant traditionally recognized for its therapeutic properties, has gained scientific interest due to its potential pharmacological applications. However, comprehensive studies exploring its bioactive constituents and biomedical relevance remain limited. The aim of the study: To evaluate the phytochemical compositions, antimicrobial efficacy, and molecular interactions of Jatropha gossypifolia ethanolic leaf extract, with a particular focus on its potential role in managing atopic dermatitis. Materials and methods: The ethanolic extract of Jatropha gossypifolia leaves was analysed using GC-MS/MS to identify its bioactive compounds. Antimicrobial activity was assessed against clinical microbial isolates using standard in vitro methods. Molecular docking studies were performed in order to evaluate the binding affinities of key phytochemicals particularly Squalene and Phytol against target proteins involved in atopic dermatitis, including Interleukin-13, Interleukin-22, and JAK1 kinase. Results: GC-MS/MS analysis identified several bioactive compounds, notably Squalene and Phytol. The extract exhibited potent activity against diverse bacterial and fungal species. Molecular docking results revealed a strong binding affinity of Squalene with the selected target proteins, indicating its potential role in modulating inflammatory pathways associated with atopic dermatitis. Conclusion: This study highlights the therapeutic potential of Jatropha gossypifolia leaves, particularly its antimicrobial properties and its potential in targeting molecular pathways linked to atopic dermatitis. The findings support the necessity of further investigation into its development as a source of novel pharmacological agents for modern healthcare applications