Background: In recent years, the prevalence and mortality of autism spectrum disorder have been increasing. The clinical clinical features are different with different cases, so the treatment ways are necessary for each one.
Objective: Bao He Wan He Shi Wei Wen Dan Tang has been recommended for treating autistic spectrum disorder. To investigate the mechanism of action and how the compounds interact with autism spectrum disorder targets, network pharmacology and molecular docking methods were used in this study.
Methods: Traditional Chinese Medicine Systems Pharmacology (TCMSP) was used to screen the active components according to index of oral bio-activity and drug likeness. Then, TCMSP and Swiss Target Prediction databases were used to screen potential target genes of active components. The related target genes of autism spectrum disorder were obtained from the Gene Cards database. Matescape database was utilized to get gene ontology (GO) function enrichment and Kyoto Encyclopedia of Genes and Genomes pathway annotation of gene targets. Composition-target-pathway (C-T-P) and a protein-protein interaction (PPI) networks were built with Cytoscape 3.8.2 software.
Results: Interaction of the main active components of Bao He Wan He Shi Wei Wen Dan Tang were verified by the molecular docking. The key targets of MAPK1, IL6, CXCL8 and TP53 of Bao He Wan He Shi Wei Wen Dan Tang for were obtained. The key active components Quercetin, Kaempferol and Iuteolin of Bao He Wan He Shi Wei Wen Dan Tang could bind with MAPK1, IL6, CXCL8 and TP53 of Bao He Wan He Shi Wei Wen Dan Tang, respectively.
Conclusion: Bao He Wan He Shi Wei Wen Dan Tang can be higher effectively for treating autism spectrum disorder and which can help us to understand multiple targets and multiple pathways mechanism.