METHODS: The bioactive components and relevant target genes of KXS were obtained from the database about Traditional Chinese Medicine. The key genes of PTSD and anxiety were derived from disease databases. Subsequently, the network of protein-protein interaction and a network of \"drug-components-disease-targets\" was constructed. In order to treat PTSD and anxiety, gene ontology enrichment and signaling pathway enrichment were analyzed by using R language and components-core targets associated were validated by molecular docking.
RESULTS: One hundred three targets of KXS in treating PTSD and anxiety were identified. The results of protein-protein interaction analysis and molecular docking indicated that AKT1 and IL-6 were crucial targets. Moreover, KEGG analysis has shown that neuroactive ligand-receptor interaction, calcium signaling pathway, and cAMP signaling pathway may play crucial roles in treating PTSD and anxiety. Ten biological process, 10 molecular function, and 10 cellular component were revealed via gene ontology analysis.
CONCLUSIONS: The network pharmacology study and molecular docking indicated that KXS treated anxiety and PTSD by multiple components, targets, and signaling pathways. These results provide an important reference for subsequent basic research on PTSD and anxiety.
方法:KXS的生物活性成分及相关靶基因来源于中药相关数据库。PTSD和焦虑的关键基因来自疾病数据库。随后,构建了蛋白质-蛋白质相互作用网络和“药物-成分-疾病-靶标”网络。为了治疗创伤后应激障碍和焦虑,使用R语言分析基因本体富集和信号通路富集,并通过分子对接验证相关的成分-核心靶标。
结果:确定了KXS治疗PTSD和焦虑症的103个目标。蛋白质相互作用分析和分子对接结果表明AKT1和IL-6是关键靶标。此外,KEGG分析表明,神经活性配体-受体相互作用,钙信号通路,cAMP信号通路在创伤后应激障碍和焦虑的治疗中可能发挥重要作用。十个生物过程,10分子功能,通过基因本体论分析揭示了10种细胞成分。
结论:网络药理学研究和分子对接表明,KXS通过多种成分治疗焦虑和创伤后应激障碍,目标,和信号通路。这些结果为后续PTSD和焦虑的基础研究提供了重要参考。