The Mechanisms of Zixue Powder Ameliorate Herpes Simplex Virus Encephalitis through Network Pharmacology and Molecular Docking

Abstract Background Herpes simplex virus encephalitis (HSE) is an acute central infectious neurologic disease caused by the herpes simplex virus (HSV). Zixue powder, a traditional Chinese medicine, has been commonly used for the treatment of HSE. However, the specific target genes and underlying mechanisms of Zixue powder in ameliorating HSE are still not well understood. This research aimed to explore the potential mechanisms of Zixue Powder in improving HSE using network pharmacology and molecular docking techniques. Methods The active components and targets of the Zixue Powder were identified using the HERBdatabase. Disease targets related to HSE were obtained from the GeneCards and OMIM databases. Predicted targets and protein-to-protein interaction (PPI) networks were constructed. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses were performed using the Database for Annotation, Visualization, and Integrated Discovery (DAVID) server to uncover the potential underlying mechanisms involved. The core targets identified, including TNFA, CXCL8, CASP3, IL10 and INS, were further subjected to molecular docking with the active ingredient of the Zixue powder. Results The molecular docking results indicated that the Zixue powder strongly interacted with the core target. Network pharmacology revealed that Zixue Powder has multicomponent, multitarget, and multichannel pharmacological effects in the treatment of HSE. Network pharmacology revealed that Zixue Powder has multicomponent, multitarget, and multichannel pharmacological effects in the treatment of HSE Conclusions TNFA, CXCL8, CASP3, IL10, and INS are closely associated with the immune response. We propose that key components such as β-sitosterol and (L)-alpha-terpineol in Zixue Powder may function as immunomodulators in the treatment of HSV infection.