| Objective:To clarify the material basis of promoting blood circulation and removing blood stasis of Taohe Chengqi decoction and systematically explain the molecular mechanism of Rhei Radix et Rhizoma and Taohe chengqi decoction in promoting blood circulation and removing blood stasis on stroke,the quality markers of Taohe chengqi decoction with the effect of promoting blood circulation and removing blood stasis were predicted and their content was determined.Method:1.The molecular mechanism of Taohe chengqi decoction’s effect of promoting blood circulation and removing blood stasis on strokeThe active components of medicines were searched by TCMSP,TCMIP,TCMID and BATMAN-TCM databases,and the components were mined and proofread by NCBI PubMed and CNKI databases;The online platform of PharmMapper,TCMSP and BATMAN-TCM database were used to predict the target of effective components;STRING database and Cytoscape software were used to construct the molecular network,and DAVID,KEGG Mapper,R language package clustrProfiler were used to perform target function enrichment analysis;The combined activity analysis of key targets and corresponding active components was carried out by using SYBYL-X2.0 software,and the up-down relationship of key targets was obtained by GEO data analysis.2.Discovery and confirmation of quality markers of Rhei Radix et Rhizoma in Taohe chengqi decoctionThrough the research method of network pharmacology and combined with the characteristics of quality markers,the candidate quality markers of Rhei Radix et Rhizoma and Taohe chengqi decoction for promoting blood circulation and removing blood stasis were obtained,and the content of quality markers was determined by HPLC chromatography.The similarity evaluation system of chromatographic fingerprint of traditional Chinese medicine(2012 version)was used to evaluate the similarity.Results:1.Analysis of the main functional component group and target group of Taohe chengqi decoction for promoting blood circulation and removing blood stasisA total of 658 effective ingredient groups of Taohe chengqi decoction and 365 target groups were obtained.After screening,55 effective ingredients were applied to 26 key targets,18 effective ingredients of Rhei Radix et Rhizoma,14 Persicae Semen,5Cinnamomi Ramulus,and 18 licorice,of which Rhei Radix et Rhizoma promotes blood circulation and prevents blood stasis to prevent stroke mainly by 13 active ingredients acting on 6 key targets.Molecular docking shows that the binding affinity between key targets and Rhei Radix et Rhizoma active ingredients is good.Among them,NOS2,NOS3,and CALM1 are involved in angiogenesis,and F2,F10,and ELANE are related to blood rheology;23 active ingredients of Rhei Radix et Rhizoma and Persicae Semen act on 12 key targets to play the role of promoting blood circulation and stasis,of which NOS2,NOS3,CALM1,MMP3,and MMP9 are related to angiogenesis,DPP4,NOS2,PTGS2,NR3C1,PPARG,MMP9 are involved in the anti-inflammatory process,F2,F10,ELANE are involved in anticoagulation and antithrombosis;GEO analysis shows that Taohe chengqi decoction may prevent stroke by down-regulating ESR1 and NOS3,and treat stroke by up-regulating ICAM1,IL1 B,MAPK14,MMP9,PPARG,PTGS2,TP53,and down-regulating RELA and SRC.2.Two-way regulating effect of Taohe Chengqi Decoction on prevention and treatment of strokeThe study found that Rhei Radix et Rhizoma through Calcium signaling pathway,VEGF signaling pathway and other ways to change hemorheology,promote angiogenesis to achieve the role of stroke prevention and treatment.Taohe chengqi decoction through TNF signaling pathway,VEGF signaling pathway and other ways to protect blood vessels,inhibit thrombosis,inhibit platelet aggregation,protect nerves,anti-inflammation to achieve the role of prevention and treatment of stroke.Changing hemorheology,promoting angiogenesis and anti-inflammation are closely related to the effect of promoting blood circulation and removing blood stasis.3.Virtual screening of quality markersThrough the research method of network pharmacology and combined with the characteristics of quality markers,it is preliminarily obtained that rhein,emodin,aloe-emodin,physcion,chrysophanol,sennoside B,(+)-catechin and gallic acid are the quality markers of Rhei Radix et Rhizoma and Taohe chengqi decoction in promoting blood circulation and removing blood stasis in stroke.4.HPLC confirmation of quality markerThe results of the content determination showed that the contents of these 8components in Rheum tanguticum Maxim.ex Balf.,Rheum officinale Baill.,Rheum palmatum L.,and Rheum officinale Baill.,Rhei Radix et Rhizoma-Persicae Semen,Taohe chengqi decoction were significantly different(P <0.05).It is preliminarily believed that these 8 ingredients can be used as three kinds of basic Rhei Radix et Rhizoma,as well as Rheum officinale Baill.,Rhei Radix et Rhizoma-Persicae Semen,Taohe chengqi decoction to play the role of promoting blood circulation and removing blood stasis.12 batches of Rheum officinale Baill.,12 batches of Rheum palmatum L.have a good similarity,and the12 th batches of Rheum tanguticum Maxim.ex Balf.has the similarity of batch S12 less than 0.9.Conclusion:1.From the molecular level,it elucidates the functional substance group,target group and molecular mechanism of Taohe chengqi decoction,finds out the two-way regulatory effect of Taohe chengqi decoction on stroke prevention and treatment,and lays a theoretical foundation for the clinical application of traditional Chinese medicine and its compound prescription in the prevention and treatment of cardiovascular and cerebrovascular diseases.2.This study preliminarily predicted that the quality markers of Rhei Radix et Rhizoma and Taohe chengqi decoction could play a role in promoting blood circulation and removing blood stasis.It further improves the quality control system of Rhei Radix et Rhizoma,and is also conducive to the establishment of more rapid,effective and effective quality control methods and standards related to effective substances.3.From the perspective of promoting blood circulation and removing blood stasis of Rhei Radix et Rhizoma and Taohe chengqi decoction,this study combines the method of network pharmacology and HPLC content determination method,aiming to quickly and accurately find the quality markers of Rhei Radix et Rhizoma and Taohe chengqi decoction in the prevention and treatment of stroke,and it is quantitatively investigated.This greatly saves the time for screening and investigating the quality markers of traditional Chinese medicine,is conducive to the improvement of the quality control system of traditional Chinese medicine,and is also conducive to the development and modernization of traditional Chinese medicine.It also provides the effectiveness and clinical application of traditional Chinese medicine and traditional Chinese medicine prescriptions Basis. |
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