Open AccessMechanism of pharmacological effect of Angelica essential oil on anxiety based on network pharmacology and molecular docking
Author(s) -
Xiaoli Liu,
Xiaofei Zhang,
Fang Wang,
Jie Xu,
Ming Yang
Publication year - 2022
Publication title -
tropical journal of pharmaceutical research
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.209
H-Index - 36
eISSN - 1596-5996
pISSN - 1596-9827
DOI - 10.4314/tjpr.v20i4.19
Subject(s) - docking (animal) , mechanism of action , autodock , chemistry , computational biology , gene ontology , mechanism (biology) , pharmacology , biochemistry , biology , gene , gene expression , medicine , philosophy , nursing , epistemology , in silico , in vitro
Purpose: To investigate the pharmacological effect of Angelica essential oil (AEO) on anxiety disorder and the mechanism of action involved, using network pharmacology and molecular docking.
Method: Chemical compositions of AEO were determined using gas chromatography-mass spectrometry (GC-MS). The potential targets involved in the effect of AEO on anxiety were predicted by searching Bioinformatics databases. Cytoscape software was applied for networks construction. Analysis of Gene Ontology (GO) and pathway was done via R Programming Language, while molecular docking analysis was conducted by Autodock vina software.
Results: Network analysis showed that there were 10 bioactive components and 34 potential targets. The potential targets were distributed in cerebellar cortex, basic ganglia, hippocampal formation, amygdala, pons and medulla and liver. AEO was involved in multiple biological processes (BP), cell components (CC) and molecular functions (MF) associated with anxiety disorder. Molecular docking revealed good binding affinity between the major bioactive components and targets.
Conclusion: This study has revealed the pharmacological mechanism involved in the effect of AEO on anxiety, through network pharmacology and molecular docking. The pharmacological mechanism provides a firm theoretical basis for further studies in this area of research.