Integrative Bacterial Network Analysis and Molecular Docking of Vitex negundo Bioactives for Targeted Acne Therapy in the Community

Background: Acne vulgaris is a common inflammatory skin condition caused by bacterial infections. Herbal remedies have gained attention for their potential in treating acne. This study investigates the antibacterial potential of Vitex negundo using network pharmacology and molecular docking techniques to identify key targets and interactions relevant to acne therapy. Methods: Targets related to acne vulgaris were identified through open databases and literature review. Protein-protein interaction data were obtained from Metascape and STRING databases, and network construction was performed using Cytoscape. Molecular docking was conducted with AutoDock to assess the binding affinity between Vitex negundo bioactives and bacterial targets associated with acne. Results: The network analysis revealed several key targets with high interaction degrees. Molecular docking showed strong binding affinities for selected bioactives with bacterial targets, indicating their potential role in inhibiting acne-related bacterial growth. Conclusion: Vitex negundo bioactives demonstrate significant antibacterial potential, making them promising candidates for targeted acne therapy.