In vitro and in silico identification of phytochemical present in Fragaria ananassa against Escherichia coli causing brain abscess

Escherichia coli-induced brain abscesses represent a serious clinical concern, especially in the advent of antibiotic-resistant isolates. Herein, this research sought to explore the capacity of Fragaria ananassa (strawberry) phytochemicals as substitute antimicrobial compounds for treating E. coli-infused brain abscesses. With an interdisciplinary in silico and in vitro study, we pursued to find and assess bioactive compounds present in strawberry leaves. In silico analysis was a multi-step bioinformatics and cheminformatics workflow. Comparative genomics first picked up the E. coli 'flhA' gene, essential for flagellar assembly and motility, as a primary target. Protein-protein interaction network analysis through Cytoscape and CytoHubba identified FlhA as a hub protein. The 3D structure of FlhA was predicted through SWISS-MODEL and employed for molecular docking studies with 20 antibacterial phytochemicals. Flavylium showed maximum binding affinity (-7.91 kcal/mol) towards FlhA and hence indicated potent inhibitory activity. In vitro studies evaluated the antibacterial efficacy of F. ananassa leaf extracts (methanol, ethanol, acetone, and chloroform) against E. coli by the agar well diffusion method. Acetone extract showed maximum mean zone of inhibition (1.5 mm), which reflects intensive antibacterial activity. These results emphasize the potential of certain phytochemicals, specifically flavylium, and acetone extracts of Fragaria ananassa as viable candidates for creating new therapeutic interventions against E. coli-induced brain abscesses that need further study and verification. Result This analysis aimed to give insight into the mechanistic basis of Fragaria ananassa antibacterial action. The integration of invitro and in-silico methodologies offer a comprehensive understanding of the antibacterial network involved.