UPLC-Q-TOF-MS/MS Combined with Network Pharmacology, Molecular
Docking, and Animal Verification Reveals the Mechanism of Insomnia
Treatment by Shen Qi Wu Wei Zi capsules
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Published:2023-12-27
Issue:
Volume:27
Page:
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ISSN:1386-2073
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Container-title:Combinatorial Chemistry & High Throughput Screening
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language:en
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Short-container-title:CCHTS
Author:
Bai Fengyun1,
Wang Jie2,
Xia Ning2,
Sun Ying1,
Xie Yundong2,
Zhao Chongbo2,
Sun Jing2,
Zhang Xiaofei2
Affiliation:
1. Shaanxi Dongtai Pharmaceutical Company, XianYang 712031, Shaanxi, China
2. Key Laboratory of Basic and New
Drug Research of Traditional Chinese Medicine, Shaanxi University of Chinese Medicine, Xianyang 712046, Shaanxi,
China
Abstract
Background:
Shen Qi Wu Wei Zi capsules (SQWWZ) are often used to treat
insomnia; however, the potential therapeutic mechanism is still unclear.
Objective:
This study aimed to investigate the mechanism underlying the therapeutic effects of
the Shen Qi Wu Wei Zi capsules on insomnia.
Methods:
The components of SQWWZ were identified using the UPLC-Q-TOF-MS/MS technique in conjunction with relevant literature. Insomnia-related targets were searched in the GeneCards and DisGeNET databases, and the intersection targets were obtained using a Venn diagram. A component-target-insomnia network diagram was constructed using Cytoscape 3.7.2
software. Core targets underwent GO and KEGG enrichment analyses. Molecular docking techniques were employed to verify the key proteins involved in the pathway and their corresponding
compounds. Insomnia was induced in SD rats through the intraperitoneal injection of pchlorophenylalanine (DL-4-chlorophenylalanine, PCPA). The rats were treated orally with
SQWWZ, and the serum levels of 5-HT and GABA in each group were determined using ELISA.
Histological analysis of hippocampal tissue sections from the rats was performed using HE staining.
Results:
Using UPLC-Q-TOF-MS/MS and reviewing relevant literature, we identified 49 components of SQWWZ. Additionally, we obtained 1,043 drug targets and 367 insomnia-related
targets. Among these, 82 targets were found to be common to both drug and insomnia targets.
Following drug administration, rats in the treatment group exhibited a significant increase in the
serum levels of 5-HT and GABA. Moreover, histological analysis using HE staining revealed
neatly arranged hippocampal neuronal cells in the treated rats.
Conclusion:
The active components of SQWWZ had good inhibition of insomnia. This study
provides a reference and guidance for the in-depth study of SQWWZ for the treatment of insomnia.
Publisher
Bentham Science Publishers Ltd.
Subject
Organic Chemistry,Computer Science Applications,Drug Discovery,General Medicine
Cited by
1 articles.
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