Investigation of Transdermal Constituents and Molecular Mechanism of Euodiae Fructus in Treatment of Diarrhea by Transdermal Drug Delivery Based on Integrated Pharmacology and UPLC-Q-TOF-MS
10.13422/j.cnki.syfjx.20210348
- VernacularTitle:基于UPLC-Q-TOF-MS技术和整合药理学方法探索吴茱萸经皮成分及其治疗腹泻的分子机制
- Author:
Jian-xin ZHOU
1
;
Shuo SHEN
2
;
Mao-bo DU
2
;
Yu-jie LI
2
;
Yi SUN
2
;
Ai-ping HE
2
;
Yao YAO
2
;
Ming-shuo WANG
2
;
Shu-zhi LIU
2
;
Yong-qin YIN
1
Author Information
1. School of Traditional Chinese Medicine，Guangdong Pharmaceutical University， Guangzhou 510006，China
2. Institute of Chinese Materia Medica， China Academy of Chinese Medical Sciences，Beijing 100700，China
- Publication Type:Research Article
- Keywords:
Euodiae Fructus;
ultra performance liquid chromatography-quadrupole time-of-flight mass spectrometry （UPLC-Q-TOF-MS）;
integrated pharmacology;
diarrhea;
molecular mechanism
- From:
Chinese Journal of Experimental Traditional Medical Formulae
2021;27(7):112-120
- CountryChina
- Language:Chinese
-
Abstract:
Objective:To identify the transdermal constituents of Euodiae Fructus and predict its molecular mechanism in treating diarrhea by transdermal drug delivery. Method:Ultra performance liquid chromatography-quadrupole time-of-flight mass spectrometry （UPLC-Q-TOF-MS） and integrated pharmacology methods were used. The rapid identification of transdermal constituents of Euodiae Fructus was realized by the means of comparison of reference substances， analysis of UNIFI system and mass spectrometry. On this basis， Integrative Pharmacology-based Research Platform of Traditional Chinese Medicine （TCMIP） v2.0， SymMap， DisGeNET databases and literature were used to collected potential targets of transdermal constituents of Euodiae Fructus and targets for diarrhea-related diseases. The disease targets and drug targets were topologically analyzed to obtain the core targets， which were used for the Gene Ontology （GO） function and Kyoto Encyclopedia of Genes and Genomes （KEGG） pathway enrichment analysis. Finally， Cytoscape 3.6.0 was used to build up a network of transdermal constituents-core targets-key pathways. Result:A total of 19 chemical constituents were speculatively identified from Euodiae Fructus extract， including quinolone alkaloids， limonins， indole alkaloids， organic acids and sterols. A total of 174 core targets of Euodiae Fructus for treating diarrhea were obtained by a topology analysis， signaling pathways of inflammatory response， cell proliferation， nutrient regulation and energy metabolism， signal transduction， bacterial infection were obtained through the analysis of KEGG enrichment. Conclusion:In this study， the transdermal constituents of Euodiae Fructus are identified for the first time， they can participate in the regulation of intestinal inflammation， maintain the integrity of intestinal mucosa， repaire and adjust the metabolism of the body by acting on Rac protein family， phosphatidylinositol 3-kinase， cytochrome P450 enzymes and aldo-keto reductase， respectively. In general， the molecular mechanism of Euodiae Fructus in the treatment of diarrhea is preliminarily elucidated.
