Integrated Network Biology and Molecular Docking Studies Identify Sanguinarine as an Effective Phytocompound Against Asbestosis

Asbestos, a mineral once widely used, is now known to cause serious health problems like lung cancer and mesothelioma. Early detection of these diseases helps, and advancements like Next-Generation Sequencing (NGS) are helping diagnose them faster. While there's currently no cure for asbestos-related diseases, research in areas like biology holds promise for future treatment breakthroughs. Plants have natural chemicals that may fight diseases like cancer. Our main objective is to find a relevant plant-based supplement for asbestosis with minimum side effects. In the present study, online databases like Gencard, Malacard, and NCBI were explored for the identification of genes responsible for asbestosis. Asbestosis patient samples from GEO (GSE100900) database were retrieved for Differentially Expressed Gene (DEGs) identification. Further, the network biology approach was used to identify the hub genes and the priority gene in asbestosis. STRING and CytoHubba plugin of Cytoscape was used for network construction and identification of hub genes. Cytohubba parameters identified the TNF gene as the key gene regulating the asbestosis network. SwissModel was used to predict the structure of the TNF gene followed by molecular docking studies using SeamDock. This gene codes for multifunctional inflammatory cytokine. Molecular docking studies identified Sanguinarine (-8.26kcal/mol) is the most effective phytocompound against asbestosis. It is a polycyclic quaternary ammonium salt which belongs to the benzylisoquinoline alkaloids family. It is a natural substance found in the roots, seeds, leaves or fruits of many plants, including bloodroot, poppy, eastern horned poppies, opium, poppies, and celandine.