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Study on the components and mechanism of Zhachong-thirteen volatile oil in the treatment of ischemic stroke based on GC-MS combined with network pharmacology and molecular docking

Published on Mar. 24, 2023Total Views: 1179 times Total Downloads: 458 times Download Mobile

Author: Sheng-Nan YANG 1 Yan-Li GU 1 Hui-Qing GUO 1 Wen ZU 1 Xue-Mei ZHOU 2 Cai-Jing YANG 3 Ba-Tu JIRIMU 4

Affiliation: 1. School of Pharmacy, Inner Mongolia Medical University, Hohhot 010110, China 2. Inner Mongolia Autonomous Region Institute of Drug Inspection, Hohhot 010110, China 3. Xing'an League People's Hospital, Hinggan League 137400, Inner Mongolia Autonomous Region, China 4. Ethnic Medicine Innovation Center, Inner Mongolia Medical University, Hohhot 010110, China

Keywords: Zhachong-thirteen volatile oil GC-MS Ischemic stroke Network phar-macology Molecular docking

DOI: 10.19960/j.issn.1005-0698.202303006

Reference: Sheng-Nan YANG, Yan-Li GU, Hui-Qing GUO, Wen ZU, Xue-Mei ZHOU,Cai-Jing YANG, Study on the components and mechanism of Zhachong-thirteen volatile oil in the treatment of ischemic stroke based on GC-MS combined with network pharmacology and molecular docking,2023, 32(3): 280-293..DOI: 10.19960/j.issn.1005-0698.202303006.[Article in Chinese]

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Abstract

Objective  To analyse the main chemical components of the volatile oil of 8 plant medicines in Zhachong-thirteen prescription based on GC-MS and the method of network pharmacology, and to explore the possible mechanism of its components on ischemic stroke.

Methods  After the volatile oil was analyzed by GC-MS technology, the chemical composition action target and disease target were predicted with the help of several databases. A "chemical component-target" network was conducted and the protein-protein interaction relationship which was obtained by the commen targets was visualized. The gene ontology (GO) function and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis were further completed according to the selected key targets. The molecular docking verification of key targets and active components was carried out on DiscoveryStudio software.

Results  GC-MS identified 44 compounds, which accounted for 94.14% of the total content, and the highest content was eugenol. 42 active components and 159 potential targets about ischemic stroke were screened. 369 GO functional items and 126 KEGG signal pathway entries were obtained, which were related to cancer pathway, lipid and atherosclerosis. Molecular docking data showed that eugenol and other active components had strong binding properties to key targets such as hypoxia inducible factor 1α, matrix metalloproteinase 9 and signal transducer and activator of transcription 3.

Conclusion  The experimental explore the possible mechanism of Zhachong-thirteen volatile oil in the treatment of ischemic stroke through mul-ti-components, multi-targets and multi-pathways, which provides a certain reference for the further study of the effect of Zhachong-thirteen volatile oil on ischemic stroke.

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References

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