The mechanism of Danggui Jianzhong Decoction in treating dysmenorrhea based on network pharmacology and molecular docking
DUAN Xi1, WANG Ke2, SU Xiao2, LIU Kaile2, LIU Jiahuan2, WANG Juan2, HAN Lizhu2, WANG Yunlan2, SONG Xiao2
(1. Department of Clinical Laboratory, the Affiliated Hospital of Shaanxi University of Traditional Chinese Medicine, Xianyang Shaanxi 712000; 2. College of Pharmacy, Shaanxi University of Chinese Medicine, Xianyang Shaanxi 712046, China)
Abstract:Objective: Based on network pharmacology and molecular docking technology, to explore the effective components, potential targets and action pathways of Danggui Jianzhong Decoction in treating dysmenorrhea, and to investigate their mechanism of action. Methods: By establishing a database of active ingredients and targets of Danggui Jianzhong Decoction through the TCMSP website, and CTD, DisGeNET, and Drugbank databases were used to screen for dysmenorrhearelated targets, then take the intersection of drug targets and disease targets, and the STRING database was used to construct the PPI protein relationship. Finally, the cluster Profiler package was used to perform GO function enrichment analysis and KEGG signal pathway analysis, and Cytoscape 3.7.0 software was applied to build a medicinal material chemical compositiontargetdisease network. Results: Based on screened 300 dysmenorrhea targets and 184 medicinal materials targets, it was found that Danggui Jianzhong Decoction has 24 important targets for dysmenorrhea, including F2 signal pathway, TNF signal pathway and Estrogen signaling pathway. Conclusion: The mechanisms of Danggui Jianzhong Decoction in treating dysmenorrhea may be related to hormonal regulation and inflammatory response, affecting the fluid shear stress and atherosclerosis and hormone signaling pathways related to dysmenorrhea.
段玺1, 王珂2, 苏肖2, 刘凯乐2, 刘佳欢2, 王娟2, 韩立柱2, 汪芸兰2, 宋逍2. 基于网络药理学和分子对接探讨当归建中汤治疗痛经的作用机制[J]. 江苏大学学报:医学版, 2021, 31(02): 166-172,177.
DUAN Xi1, WANG Ke2, SU Xiao2, LIU Kaile2, LIU Jiahuan2, WANG Juan2, HAN Lizhu2, WANG Yunlan2, SONG Xiao2.
The mechanism of Danggui Jianzhong Decoction in treating dysmenorrhea based on network pharmacology and molecular docking
. Journal of Jiangsu University(Medicine Edition), 2021, 31(02): 166-172,177.