Exploring the Action Mechanism of Periploca Forrestii in Treating Ankylosing Spondylitis Based on Network Pharmacology and Molecular Docking
Objective:To study the action mechanism of Periploca forrestii in the treatment of ankylosing spondylitis using network pharmacology technology.Methods:The active ingredient information of Periploca forrestii was retrieved through literature search and TCMSP database.The disease target genes were obtained from the DISGENET database and GeneCards database,and drug component targets were predicted using the Swiss target prediction database.A"Chinese medicine-compound-target"network was constructed using cytoscape software,and target interaction data was downloaded using the STRING online platform.A PPI protein interaction network was constructed to explore core targets;the DAVID platform was used to perform GO functional enrichment analysis and KEGG pathway enrichment analysis on proteins in the predicted core target network.Finally,the selected main active ingredi-ents and core targets were subjected to molecular docking using software such as Pymol and Autotool.Results:Twelve effec-tive ingredients and 422 drug targets were screened from Periploca forrestii,and 71 targets intersected with ankylosing spondylitis.The main components of Periploca forrestii included isopropyldienol,baicalin,and kaempferol,while the core targets were STAT3,MAPK1,MAPK14,JAK2 and JAK1.GO function and KEGG pathway analysis revealed the main pathways involved in the growth hormone signaling pathway JAK-STAT cascade,JAK-STAT cascade,tyrosine phosphorylation of STAT protein,Th17 cell differentiation,Th1 and Th2 cell differentiation.Molecular docking showed that both components and targets could effectively bind,and the structure of baicalin and JAK1 was optimal.Conclusion:From the perspective of network pharmacology,the therapeutic effect of Periploca forrestii on ankylosing spondylitis was predicted,mainly using effective ingredients such as baicalin and kaempferol,which acted on targets such as JAK1 and JAK2 through signaling pathways such as JAK/STAT and MAPK,laying a certain foundation for subsequent research.
万方数据
维普
