Affiliation:
1. Department of Pharmaceutics, College of Pharmacy, Shaanxi University of Chinese Medicine, Xianyang 712046, Shaanxi, China
2. Ministry of Education, Key Laboratory of Modern Preparation of Traditional Chinese Medicine, Jiangxi University of Traditional Chinese Medicine, Nanchang, China
Abstract
Aim and Objective:
The common disease of insomnia has complex and diverse clinical
manifestations. Lavender represents an effective treatment of insomnia, but the molecular
mechanism underlying the effectiveness of this treatment is not clear. The purpose of this study is
to investigate the active components, target proteins and molecular pathways of lavender in the
treatment of insomnia, thus explaining its possible mechanism.
Materials and Methods:
Firstly, 54 active components of lavender were identified by gas
chromatography-mass spectrometry (GC-MS). The target protein of lavender was predicted by the
Traditional Chinese Medicine System Pharmacological Database and Analysis Platform and the
SwissTargetPredicating tool, and the target protein of insomnia was predicted by the DisGeNET
and DrugBank databases. Then, the "component-target-disease" network diagram was constructed
using the Cytoscape 3.7.1 software. KEGG and GO enrichments were analyzed using the R
statistical language. Finally, the key target proteins were verified by collecting and verifying the
target protein GEO data using the Discovery Studio 3.5 molecular docking verification software.
Results:
906 target proteins of lavender were predicted by the Traditional Chinese Medicine
System Pharmacological Database and Analysis Platform and the SwissTargetPredicating tool, and
182 insomnia target proteins were predicted by the DisGeNET and DrugBank databases. The
results of GO enrichment analysis showed that it included the reaction process of ammonium ion,
the regulation of the membrane potential and the secretion of catecholamine, while the results of
KEGG enrichment included the calcium signaling pathway, serotonin synapse, morphine addiction
and many more. Finally, using the Discovery Studio3.5 molecular docking verification software, it
was verified that the key target proteins are ADRB1 and HLA-DRB1.
Conclusion:
The components in the lavender essential oil include the Ethyl 2-(5-methyl-5-vinyltetrahydrofuran-
2-yl)propan-2-ylcarbonate (0.774); 5-Oxatricyclo[8.2.0.04,6]dodecane, 4,12,12-trimethyl-
9-methylene-, (1R,4R,6R,10S)-(0.147); P-Cymen-7-ol (0.063); .alpha-Humulenem (0.317);
Acetic acid, hexyl ester (1.374); etc. The role lavender plays in the treatment of insomnia might be
accomplished through the regulation of the key targets ADRB1 and HLA-DRB1.
Funder
Shaanxi Province Department of Science and Technology Project
The Innovation talents Promotion Program of Shaanxi Province-Science and Technology Innovation team
Shaanxi provincial Department of Education Project
National Natural Science Foundation of China
Publisher
Bentham Science Publishers Ltd.
Subject
Organic Chemistry,Computer Science Applications,Drug Discovery,General Medicine
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