Exploration of the potential mechanism of Danggui Shaoyao powder in the treatment of endometriosis based on bioinformatics  

作　　者：Xiuping Zhang Lulu Zhang Qi Wang Xinhui Sun Yang Dong Yu Xing Xiaona Ma 

机构地区：[1]School of Traditional Chinese Medicine,Beijing University of Chinese Medicine,Beijing 102488,China [2]Department of Gynecology,Beijing University of Chinese Medicine Third Affiliated Hospital,Beijing 100029,China [3]Harvard Medical School,Brigham and Women’s Hospital,02115 Boston,MA,USA

出　　处：《Journal of Traditional Chinese Medical Sciences》2019年第4期355-364,共10页中医科学杂志（英文）

基　　金：the National Natural Science Foundation of China(81273789);the 2019 Fundamental Research Funds for Special Discipline at Beijing University of Chinese Medicine(2019-JYB-TSXK-001).

摘　　要：Background:Endometriosis is a hormone-and organ-dependent disease with unclear pathogenesis.Danggui Shaoyao powder(DSP)has been used for the treatment of endometriosis for many years and has been proven to be effective,but its underlying molecular mechanisms remain unclear.In this study,we explored the molecular targets and pathways of DSP in the treatment of endometriosis mainly from the perspective of network pharmacology,and provided some novel ideas for managing this disease.Methods:In the present study,we focused on the underlying mechanisms between DPS and endometriosis,via oral bioavailability screening,drug similarity assessment,target identification,network analysis,drug relocation,and molecular docking using network pharmacology.Results:By bioinformatics,54 active components of DSP were predicted from the 534 components provided by the TCMSP database.We then found 85 validated targets and 6059 predicted targets for herbal components,and 2241 targets for endometriosis.After mapping,there were 255 targets in common.After that,network analysis was performed to screen key networks and core targets.Ninetynine indirect targets were collected from 14 direct ones.GO and KEGG analyses identified 63 enriched functions and 10 pathways(P<.01).According to the disease target,dipyridamole could undergo drug repositioning for endometriosis(score?1).The mechanism of action of dipyridamole on endometriosis was compared with that of DSP.Finally,eight targets,namely,AR,ESR1,HMGCR,NOS2,NR3C1,PPARG,PTGES,and PTGS2,were validated by molecular docking,suggesting that the probable molecular mechanisms by which DSP treats endometriosis are through seven validated pathways:hsa05200,hsa04915,hsa01100,hsa00900,hsa04920,hsa01130,and hsa00590.Conclusion:In this study,we uncovered the mechanism by which DSP can treat endometriosis using a drugecomponentetarget interaction network.This approach can provide some novel ideas for the development of Chinese medicine and the clinical management of endometriosis.

关 键 词：Danggui shaoyao powder ENDOMETRIOSIS Network pharmacology Molecular docking MECHANISM 

分 类 号：R285[医药卫生—中药学]