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| Composition and mechanism of Caryophylli Flos volatile oil against psoriasis based on GC-MS and bioinformatics |
| Hits 155 Download times 93 Received:February 01, 2024 |
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| DOI
10.11656/j.issn.1672-1519.2024.05.19 |
| Key Words
Caryophylli Flos;volatile oil;psoriasis;active ingredient;mechanism of action;GC-MS;bioinformatics |
| Author Name | Affiliation | E-mail | | LIU Guoxin | College of Pharmacy, Jiamusi University, Jiamusi 154000, China | | | YU Jiaxin | College of Pharmacy, Jiamusi University, Jiamusi 154000, China | | | ZHANG Xiangyang | College of Pharmacy, Jiamusi University, Jiamusi 154000, China | | | LIU He | College of Pharmacy, Jiamusi University, Jiamusi 154000, China | | | WANG Yansong | College of Pharmacy, Jiamusi University, Jiamusi 154000, China | | | SHEN Jinghui | College of Pharmacy, Jiamusi University, Jiamusi 154000, China | | | LI Shuxian | College of Pharmacy, Jiamusi University, Jiamusi 154000, China | lishuxian0829@aliyun.com |
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| Abstract
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| [Objective] The components of Caryophylli Flos volatile oil were identified by GC-MS，and its possible mechanism of action was predicted by network pharmacology. [Methods] After the components were analyzed by GC-MS，the active ingredients were screened using SwissADME platform，and the disease-related targets of these active ingredients were obtained through Swiss and GeneCards databases，and then the compound-target network was constructed by Cytoscape software. String platform and Cytoscape software were used to construct the target PPI network to screen the key targets，and the core targets were imported into DAVID database to complete GO and KEGG analysis，and finally AutoDock software was used for molecular docking verification. [Results] A total of 10 major components were identified from the volatile oil of Caryophylli Flos，and all of them met the “five principles of drug-like”. The hub genes such as AKT1，TNF，MAPK3，VEGFA，SRC，and CASP3 were predicted，and external validation results showed differences in the expression of all six hub genes，TNF had diagnostic value. Enrichment analysis yielded 117 biological processes and 114 signaling pathways. Molecular docking experiments showed that most of the active ingredients have good binding ability with their key targets. [Conclusion] Caryophylli Flos volatile oil may regulate signaling，protein phosphorylation and cell differentiation through its active ingredients such as eugenol and key targets such as AKT1，thus synergistically exerting its effects against psoriasis. |
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