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2000
Volume 28, Issue 12
  • ISSN: 1386-2073
  • E-ISSN: 1875-5402

Abstract

Introduction

Baroni (Huanghuacai), a plant of the genus in the family , is widely planted in China. Based on our survey results, the chemical compounds in the essential oil of the flowers of Baroni (EOFHCB) and relevant pharmacological activities have never been studied systematically.

Objective

To preliminarily decipher the pharmacological activities and mechanisms of EOFHCB in the treatment of anxiety disorders by GC-MS, Network Pharmacology, and Molecular docking.

Methods

EOFHCB compositions were identified using GC-MS, and their targets were predicted using Swiss Target Prediction databases. The targets of anxiety disorders were obtained by GeneCards, DisGeNET, and OMIM databases. The STRING database was used to construct the protein-protein interaction networks, and the DAVID database was used to carry out GO enrichment and KEGG pathway enrichment analysis. The EOFHCB-components-targets-pathways-anxiety disorders network was constructed by Cytoscape software (Version 3.10.0). Finally, the result was verified by molecular docking.

Results

28 chemical components were identified by GC-MS, including 3-furanmethanol (28.43%), 2-methyl-1-butanol (27.13%), nerolidol (10.62%), and so on, which correspond to 241 potential targets. Several 2440 biological processes, 187 cellular compositions, and 311 molecular functions were enriched by GO enrichment analysis and 174 pathways by KEGG enrichment analysis. The key targets are PTGS 2, SRC, DRD 2, ESR 1, MAOB, and SLC6A4. The most important pathway is the neuroactive ligand-receptor interaction.

Conclusion

EOFHCB exerts its therapeutic effects on anxiety disorders through multi-components, multi-targets, and multi-pathways, which provided new ideas and methods for the in-depth research of aromatic Chinese medicine in the treatment of anxiety disorders.

© 2025 Bentham Science Publishers
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Study on Pharmacological Activities and Mechanisms of the Essential Oil of the Flowers of Hemerocallis citrina Baroni (EOFHCB) in the Treatment of Anxiety Disorders by GC-MS, Network Pharmacology, and Molecular Docking
Comb Chem High Throughput Screen 28, 2132 (2025); https://doi.org/10.2174/0113862073309835240611075049
/content/journals/cchts/10.2174/0113862073309835240611075049
/content/journals/cchts/10.2174/0113862073309835240611075049
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  • Article Type:     Research Article
Keyword(s): anxiety disorders; essential oil; gas chromatograph-mass spectrometer (GC-MS); Hemerocallis citrina baroni; molecular docking; network pharmacology

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