Mechanism of Moringa Folium in Treatment of Constipation Based on UPLC-Q-TOF-MS and GC-MS and Network Pharmacology
10.13422/j.cnki.syfjx.20221213
- VernacularTitle:基于UPLC-Q-TOF-MS和GC-MS技术结合网络药理学探究辣木叶治疗便秘的作用机制
- Author:
Mingxiao ZHANG
1
;
Hua LI
1
;
Na CHEN
1
;
Junjie XIANG
1
;
Lujie LIN
1
;
Zhiyong LI
1
;
Bin YANG
1
Author Information
1. Institute of Chinese Materia Medica， China Academy of Chinese Medical Sciences， Beijing 100700，China
- Publication Type:Journal Article
- Keywords:
Moringa Folium;
network pharmacology;
constipation;
ultra-high performance liquid chromatography quadrupole time of flight mass spectrometry（UPLC-Q-TOF-MS）;
gas chromatography mass spectrometry（GC-MS）
- From:
Chinese Journal of Experimental Traditional Medical Formulae
2022;28(22):182-188
- CountryChina
- Language:Chinese
-
Abstract:
Objective and MethodChemical components in four varieties of Moringa Folium （MF）； traditional Indian YD， modified species of Indian species PKM1， modified species of PKM1 species PKM2， and red river No.1 variety HH） were qualitatively analyzed by ultra-high performance liquid chromatography quadrupole time of flight mass spectrometry（UPLC-Q-TOF-MS） and gas chromatography mass spectrometry（GC-MS）， and potential mechanism and material basis of MF in the treatment of constipation were revealed based on network pharmacology. ResultData of accurate relative molecular mass and fragment ions in primary and secondary mass spectra in both positive and negative ion modes were acquired by UPLC-Q-TOF-MS， and then 20 nonvolatile components were identified from the four varieties by comparison with references and consulting literature reports. Nineteen volatile components were identified by comparing mass spectrometry information and that in NIST （version 1.7） based on GC-MS， and 674 chemical component targets were predicted using SwissTargetPrediction and SEA after integration and duplicate elimination. A total of 1 086 constipation-related targets were predicted using GeneCards. With Venny， 88 intersection targets were obtained by mapping chemical component targets and disease targets and venny diagram was drawn. STRING and Cytoscape were used to plot protein-protein interaction（PPI） network diagram. Gene ontology（GO） function analysis and Kyoto encyclopedia of genes and genomes（KEGG） pathway analysis were completed through Metascape， which indicated that MF treated constipation mainly via thyroid hormone signaling pathway， advanced glycation end products/receptor for advanced glycation end products（AGE/RAGE） signaling pathway， and cancer signaling pathway. Additionally， the "component-target-pathway" map was plotted by Cytoscape， which predicted that the key components of MF in the treatment of constipation were adenosine， astragalin， geranylacetone， 2-methyloctan-3-one， palmitic acid and oleamide. Also， we inferred that the core targets might be prostaglandin-endoperoxide synthase 2（PTGS2）， tumor necrosis factor（TNF）， mitogen-activated protein kinase 1（MAPK1）， alpha 2A adrenergic receptor（ADRA2A）， and interleukin （IL）-6， which distributed in multiple tissues such as colon， small intestine， and rectum. ConclusionThis study clarified the volatile and non-volatile divisions in four varieties of MF comprehensively， and explained that MF treated constipation by reducing inflammatory state and promoting intestinal movement and secretion of intestinal fluid， which provided reference for further quality evaluation and clinical research of MF.
