Exploration of Mechanism of Action of Scutellariae Radix in Treating Toxoplasma Encephalitis and Depression Based on Network Pharmacology and Molecular Docking
Abstract: Objective: To predict the potential effective components and mechanism of action of Scutellariae Radix in the treatment of Toxoplasma encephalitis and depression based on network pharmacology and molecular docking. Methods: The effective components and potential targets of Scutellariae Radix were retrieved and collected from databases. Disease targets for Toxoplasma encephalitis and depression were obtained from GeneCards, supplemented by disease databases such as OMIM and TTD. After obtaining the intersection targets of the Chinese herb and the disease,they were imported into the STRING database to construct a protein-protein interaction network (PPI), which was visualized via Cytoscape software. A "Chinese herb-active components-disease-targets" network for Scutellariae Radix in the treatment of Toxoplasma encephalitis and depression was constructed,and core targets were screened via the CytoHubba plug-in. DAVID was used to perform Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) analyses on the intersection targets. Finally,CB-DOCK2 and RCSB BPD were used to conduct molecular docking studies of key components with effective targets. Results:A total of 35 active components were screened from Scutellariae Radix,and 59 common targets for Scutellariae Radix,Toxoplasma encephalitis,and depression were identified,mainly involving signaling pathways such as PI3K/AKT and EGFR tyrosine kinase inhibitor resistance. PPI analysis identified the top 10 core target proteins for Scutellariae Radix in treating Toxoplasma encephalitis and depression: GAPDH, AKT1, EGFR, STAT3, BCL2, CASP3, PPARG, MTOR, SRC, and STAT1. Molecular docking results showed that β-sitosterol had the highest affinity with CASP3 and BCL2 among the core targets, suggesting that CASP3 and BCL2 may be the main targets of Scutellariae Radix in treating Toxoplasma encephalitis and depression. Conclusion:Scutellariae Radix may regulate signaling pathways such as PI3K/AKT and EGFR tyrosine kinase inhibitor resistance through targets including AKT1, EGFR, BCL2, CASP3, MTOR, and SRC,thereby exerting an effect on the treatment of Toxoplasma encephalitis and depression.