Exploring the effects and molecular mechanisms of pterostilbene on schizophrenia based on network pharmacology and molecular docking

This study employed network pharmacological analysis and molecular docking methods to identify and confirm the likely molecular targets and mechanisms through which pterostilbene may exert its effects on schizophrenia. Swiss Target Prediction and Gene Cards databases were used to retrieve targets related to astragalus and schizophrenia, and Venny was used to construct an intersection map of astragalus targets and schizophrenia targets. Protein-protein interactions of common genes were obtained from the STRING database to construct a PPI network map for Pterostilbene -Schizophrenia. Utilizing the Metascape platform, an enrichment analysis of GO and KEGG pathways was conducted to delineate the potential targets associated with both Pterostilbene and schizophrenia. Subsequently, the selected targets were subjected to molecular docking and graphical representation through the Auto Dock software. Pterostilbene has 40 relevant targets that can act on schizophrenia, and the core targets involve BCL2, ESR1, EGFR, MTOR, etc. In the GO analysis, the MF enrichment results showed that the treatment of schizophrenia by pterostilbene is closely related to enzyme binding, and the KEGG pathway enrichment results showed that the TNF signaling pathway has a significant correlation with the antischizophrenic effect of pterostilbene. Analysis of the KEGG pathway enrichment data revealed significant correlations between the TNF and thyroid hormone signaling pathways and the efficacy of pterostilbene in countering schizophrenia. Molecular docking analysis indicated stable interactions between pterostilbene and its respective target. This study suggests that pterostilbene exerts antipsychotic effects through multiple targets and pathways, providing a target drug for the treatment of schizophrenia.