An Integrated Computational Method for Investigation of Structural and Functional Impacts of Host-Pathogen...

Understanding the mechanisms underlying disease requires detailed insight into host-pathogen interactions. This study presents an integrated computational framework that combines structural bioinformatics and systems biology to analyze the structural and functional consequences of host-pathogen protein interactions. By leveraging protein-protein interaction databases, homology modeling, molecular docking, and pathway enrichment analysis, the framework identifies critical molecular interfaces and disrupted biological processes. This integrated approach facilitates the identification of potential therapeutic targets by predicting novel interaction hotspots and their functional impacts. Ultimately, the platform enhances our ability to model infection dynamics and host responses at both molecular and systems levels, offering a scalable tool for investigating a wide range of pathogens.