Exploring the protective effect of morroniside on neuroinflammation based on combined GEO analysis and molecular docking experiments

This study aims to explore the molecular mechanisms and protective effects of Monoisobutyrate on lipopolysaccharide (LPS)-induced inflammatory damage in microglial cells by integrating GEO data analysis, molecular docking techniques, and in vitro experiments. Transcription data of BV2 microglia post-LPS induction were analyzed using the Limma package, with protein interactions of differentially expressed genes obtained from the STRING database. The resulting PPI network was clustered and analyzed using the Mcode plug-in, and GO and KEGG pathway enrichment analyses were conducted using the clusterProfiler package. Molecular docking technology facilitated the screening and validation of target drugs via in vitro cellular experiments on LPS-induced BV2 microglial cells. The study identified 249 up-regulated genes and 116 down-regulated genes through GEO database screening. Key pro-inflammatory proteins such as TNF, IL1b, and IL6 were highlighted in the PPI results, indicating their significance in the biological process of BV2 microglia regulated by the NF-kB pathway.The small molecule morroniside, identified through molecular docking, demonstrated the ability to reduce nuclear translocation of NF-κB transcription factor, block TNF-α generation, decrease intracellular ROS levels, and mitigate apoptotic cell death in BV2 microglia. Ultimately, morroniside was found to protect against LPS-induced neuroinflammation by targeting the NF-kB pathway and interacting with downstream pathways, showcasing its potential as a therapeutic agent.