Chemical Constituents and Insulin Resistance Targets in Different Parts of Morus alba by UPLC-Q-TOF-MS Combined with Network Pharmacology
10.13422/j.cnki.syfjx.20221214
- VernacularTitle:基于UPLC-Q-TOF-MS联合网络药理学的桑源药材不同入药部位改善胰岛素抵抗的物质基础
- Author:
Yuefeng WU
1
;
Jinling LIU
1
;
Dingfang CHEN
1
;
Zhifei ZHU
1
;
Youzhi LIU
1
;
Xiao YUAN
1
;
Jin ZHOU
1
;
Fuyuan HE
1
Author Information
1. Laboratory of Supramolecular Mechanism and Mathematic-Physics Characterization for Traditional Chinese Medicine（TCM）， Hunan Key Laboratory of Druggability and Preparation Modification of TCM， School of Pharmacy， Hunan University of Chinese Medicine， Changsha 410208， China
- Publication Type:Journal Article
- Keywords:
Mori Ramulus;
Mori Cortex;
Mori Fructus;
Mori Folium;
insulin resistance;
ultra-high performance liquid chromatography tandem quadrupole time-of-flight mass spectrometry （UPLC-Q-TOF-MS）;
molecular docking;
material basis
- From:
Chinese Journal of Experimental Traditional Medical Formulae
2023;29(2):149-158
- CountryChina
- Language:Chinese
-
Abstract:
ObjectiveTo compare the similarities and differences of material basis for improving insulin resistance （IR） in different parts of Morus alba based on liquid-mass combination combined with network pharmacology and molecular docking technology. MethodUltra-high performance liquid chromatography tandem quadrupole time-of-flight mass spectrometry （UPLC-Q-TOF-MS） was used to analyze the composition differences in different parts of M. alba. Sybyl-X2.1 was used to connect components with IR core targets， and the selection criterion was Total Score≥5. The "component-target-disease" network map was drawn. The total statistical moment standard similarity （TQSMSS） between the single target-component docking score data set and the total target-component docking score data set was calculated. The targets with higher TQSMSS were screened out， and the protein-protein interaction （PPI） network was constructed. The Gene Ontology （GO） functional analysis and Kyoto Encyclopedia of Genes and Genomes （KEGG） pathway enrichment analysis were performed using R language. ResultForty-one active components were obtained by UPLC-Q-TOF-MS. According to the total statistical moment （similarity） method， there were 20， 23， 30， and 27 targets with TQSMSS≥0.75 in Mori Ramulus， Mori Cortex， Mori Fructus， and Mori Folium， respectively. In the four M. alba medicinal sources， the functional order of the targets by GO enrichment analysis was Mori Fructus>Mori Folium>Mori Cortex>Mori Ramulus， which were involved in biological processes such as blood glucose homeostasis， glucose metabolism， and glucose transmembrane transport. The order of the four M. alba medicinal sources by KEGG pathway enrichment analysis was Mori Fructus>Mori Ramulus>Mori Folium>Mori Cortex， which were involved in the adenosine monophosphate-activated protein kinase （AMPK） energy metabolism signaling pathway， the insulin regulation-related signaling pathway， the anti-inflammatory and anti-oxidative stress signaling pathway， and so on. ConclusionThis research demonstrates that there are differences in the material basis for improving IR by different parts of M. alba， which provides references for the development of different parts of M. alba.
