Systematic characterization of the absorbed components of Ligustri Lucidi Fructus and their metabolic pathways in rat plasma by ultra‐high‐performance liquid chromatography‐Q‐Exactive Orbitrap tandem mass spectrometry combined with network pharmacology

Autor:	Huifei Li, Xin Zhao, Linlin Fang, Ruqiao Luan, Lewen Xiong, Pan Zhao, Danjie Zhang, Xuelan Zhang
Rok vydání:	2021
Předmět:	Male Ligustrum Glucuronidation Filtration and Separation Network Pharmacology Tandem mass spectrometry Orbitrap Analytical Chemistry law.invention Rats Sprague-Dawley Hydroxylation chemistry.chemical_compound Sulfation Tandem Mass Spectrometry law Network pharmacology Animals Chromatography High Pressure Liquid Chromatography Plant Extracts Rats Molecular Docking Simulation Metabolic pathway chemistry Docking (molecular) Metabolic Networks and Pathways
Zdroj:	Journal of Separation Science. 44:4343-4367
ISSN:	1615-9314 1615-9306
DOI:	10.1002/jssc.202100484
Popis:	Ligustri Lucidi Fructus is dried and mature fruit of Ligubtrum lucidum Ait., which has the effects of nourishing liver and kidney. Herein, an accurate and sensitive method was established for separation and identification of the absorbed constituents and metabolites of Ligustri Lucidi Fructus in rat plasma based on ultra-high-performance liquid chromatography-Q-Exactive Orbitrap tandem mass spectrometry. A total of 73 prototype constituents and 148 metabolites were identified or characterized in administered plasma, and the possible metabolic pathways of constituents mainly involved hydroxylation, sulfation, demethylation, and glucuronidation. Besides, the network pharmacology was further investigated to illuminate its potential mechanism of treatment for liver injury by the biological targets regulating related pathways. Network pharmacological analysis showed that target components through 399 targets regulating 220 pathways. The docking results showed that 36 key target components were closely related to liver injury. Overall, the study clearly presented the metabolic processes of Ligustri Lucidi Fructus and gave a comprehensive metabolic profile of Ligustri Lucidi Fructus in vivo firstly. Combining with network pharmacology and molecular docking discovered potential drug targets and disclose the biological processes of Ligustri Lucidi Fructus, which will be a viable step toward uncovering the secret mask of study for traditional Chinese medicine. This article is protected by copyright. All rights reserved.
Databáze:	OpenAIRE
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