FAN Xiaotian, HUANG Zhihong, WU Chao, et al. Main Components and Mechanism of Yinzhihuang Granules Based on UHPLC-LTQ-Orbitrap-MS Technology and Network Pharmacology. [J]. 22(5):520-526(2022)
DOI:
FAN Xiaotian, HUANG Zhihong, WU Chao, et al. Main Components and Mechanism of Yinzhihuang Granules Based on UHPLC-LTQ-Orbitrap-MS Technology and Network Pharmacology. [J]. 22(5):520-526(2022) DOI: 10.14009/j.issn.1672-2124.2022.05.002.
Main Components and Mechanism of Yinzhihuang Granules Based on UHPLC-LTQ-Orbitrap-MS Technology and Network Pharmacology
摘要
目的:探讨茵栀黄颗粒主要化学成分及其药理作用机制。方法:色谱柱选用Waters公司ACQUITY PRM UPLC BEH C
OBJECTIVE: To probe into the main chemical composition of Yinzhihuang granules and its pharmacological mechanism. METHODS: The chromatographic column was a Waters ACQUITY PRM UPLC BEH C
18
Column with Van Guard FIT(2.1 mm×100 mm
1.7 μm)
the mobile phase of gradient elution was 0.1% formic acid solution-acetonitrile; the high-resolution liquid mass spectrometry with positive and negative ion scanning mode(UHPLC-LTQ-Orbitrap-MS) was used. The target prediction was performed on detected chemical components by using the TCMSP and Swiss Target Prediction database
association network diagram was drawn in combination with Cytoscape 3.8.2
the gene ontology function enrichment analysis and Kyoto Encyclopedia of Gene and Genome pathway enrichment analysis on the core target gene were conducted
so that the component-target-pathway network diagram was constructed. Molecular docking verification of the disease targets and the main chemical components of Yinzhihuang granules was performed by using Autodock vina software. RESULTS: According to the results obtained from accurate relative molecular mass data and multilevel mass spectrometry fragment ion data
combined with the reference substance and literature reports
a total of 68 chemical components were analyzed and identified from Yinzhihuang granules
among which 14 chemical compounds were fully identified by reference substance
mainly including phenylpropanoids such as chlorogenic acid
coumarins such as scoparone
flavonoids such as baicalin and baicalin glycosides. Totally 31 main targets of Yinzhihuang for the treatment of jaundice obtained from network pharmacological analysis
and the top 5 main targets and important related signaling pathways were obtained after degree screening. It was inferred that Yinzhihuang granules may affect steroid hormone biosynthesis through lipid and atherosclerotic ways
thus treating the early lesions of jaundice. CONCLUSIONS: This study initially explored the main chemical constituents of Yinzhihuang granules and related pharmacological mechanisms
and provided a reference for further in-depth research of Yinzhihuang granules.
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Related Author
ZHANG Ning
GUO Yali
LIU Jian
PENG Yanru
WANG Yuguang
SHANG Jinfeng
LI Qiannan
CUI Yiran
Related Institution
Dept. of Respiratory, Beijing Hospital of Traditional Chinese Medicine, Capital Medical University
School of Chinese Materia Medica, Beijing University of Chinese Medicine
Dept.of Pharmacy, Beijing Hospital of Traditional Chinese Medicine, Capital Medical University
College of the 1st Clinical Medical Sciences, Henan University of Chinese Medicine
Dept.of Gynaecology and Obstetrics, the First Affiliated Hospital of Henan University of Chinese Medicine