Exploring the potential mechanism of Kaixinsan powder for the same pathogenesis of PTSD and anxiety based on network pharmacology and molecular docking

Abstract Kaixinsan powder(KXS), a commonly used prescription in traditional Chinese medicine, has been widely used to treat psychiatric disorders such as Alzheimer’s disease, anxiety, and post-traumatic stress disorder(PTSD), but its mechanism is still unclear. There are many similarities and psychopathological overlap between PTSD and anxiety. Herein, we use the methods of network pharmacology study and molecular docking to explore the potential mechanism of KXS for the same pathogenesis of PTSD and anxiety. The bioactive components and relevant target genes of KXS were obtained and analyzed from TCMSP, BATMAN-TCM, and Swiss-ADME databases. The key genes of PTSD and anxiety were derived from disease databases. The network of protein-protein interaction(PPI) and a network of “drug-components-disease-targets” was constructed. Gene ontology(GO) enrichment and signaling pathway enrichment(KEGG) were analyzed by using R language and components-targets associated were validated by molecular docking. 64 bioactive components and 270 relevant targets were obtained from KXS. 3474 disease genes of PTSD and 4910 disease genes of anxiety were obtained. The results of KEGG have shown that neuroactive ligand-receptor interaction, calcium signaling pathway, and cAMP signaling pathway may play crucial roles in the effect of KXS on treating PTSD and anxiety. The results of PPI analysis and molecular docking indicated that AKT1 and IL-6 were crucial targets. Beta-sitosterol, Tenulin, Fumarine, and Stigmasterol might be crucial components via analyzing the network of “drug-components-disease-targets”. The network pharmacology study and molecular docking indicated that KXS treated anxiety and PTSD by multiple components, targets, and signaling pathways.