Page 179 - EJMO-9-3

Eurasian Journal of
Medicine and Oncology Research on DSY in treating gastritis

were further analyzed using Fourier-transform infrared and Figure S1. Based on an overall evaluation of peak
spectroscopy (FTIR-640IR, VARIAN, USA). shape, peak area, and the number of peaks, the optimal
analytical conditions were determined to be a split ratio
2.6. Network pharmacology analysis of 1:20, an equilibrium temperature of 120°C, and an

Based on the identified nonvolatile and volatile compounds equilibrium time of 15 min.
of DSY decoction, gene targets were obtained from
TCMSP (https://tcmspw.com/index.php) and HERB 3.2. Identification of volatile compounds in DSY
decoction
(http://herb.ac.cn) databases. For compounds lacking
target information, SMILES strings were obtained from A total of 15 volatile compounds were identified in the
PubChem (https://pubchem.ncbi.nlm.nih.gov/) and used in DSY decoction (Table 2). These compounds included five
SwissTargetPrediction (http://www.swisstargetprediction. terpenoids, three furans, three aromatic hydrocarbons,
ch/), retaining the top five predicted targets for each two alcohols, and two ketones. The relative contents
compound. Official gene symbols were standardized using of each compound were calculated using peak area
the UniProt (https://www.uniprot.org/) database. normalization. The results indicated that the contents of
1-oxo-di-epicatechuene, 2,4-di-tert-butylphenol, and
Gene targets associated with human gastritis were camphor were present in relatively high concentrations.
identified based on data retrieved from the DisGeNet Comparison with the volatile profiles of individual herbs
(http://www.disgenet.org/), GeneCards (https://www. (Figure 2) revealed that most volatile compounds in DSY
genecards.org/), and MalaCards (www.malacards.org/) originated from DS, with 12 compounds found in both
databases. DS and DSY. However, in terms of their relative content,

A Venn diagram was generated by importing certain volatile compounds–such as diepicedrene-1-
the compounds and disease targets into the Venny oxide and camphor–originating from TX accounted for
2.1.0 platform (https://bioinfogp.cnb.csic.es/tools/ 47.677% of the total volatile content in DSY. A detailed
venny/). The PPI network was constructed using String identification information of the volatile compounds for
11.5 platform (https://www.string-db.org/) with the each individual herb is provided in Table S3 (DS), Table S4
species set to Homo sapiens and confidence threshold set (TX), and Table S5 (SR). I addition, the Soxhlet extraction
to >0.7. Subsequently, Cytoscape 3.9.1 with the CytoNCA method was employed to extract volatile oil from the
plugin ((https://cytoscape.org/) was used to calculate aqueous extracts. However, the extraction yields of DSY,
the topological property parameters of the PPI network, DS, SR, and TX were <0.1%.
including betweenness centrality, presence centrality, These findings suggest that while the majority of
degree, local average connectivity, eigenvector, and identified volatile species are contributed by DS, the
network centrality. dominant contributors by concentration are compounds
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The Metascape database (www.metascape.org/) derived from TX. Liu et al. demonstrated that TX
was used to perform Gene Ontology (GO) and Kyoto facilitates small intestinal transit and accelerates gastric
Encyclopedia of Genes and Genomes (KEGG) pathway emptying in a murine model. Studies have indicated
enrichment analyses. The p-value threshold of <0.01 was that prolonged exposure of the gastric mucosa to gastric
used for statistical significance. The top 10 GO terms acid and reduced gastric mucosal resistance may be the
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and the top 20 KEGG pathways were selected based on primary causes of gastric mucosal lesions. Therefore,
ascending order of p-values. the volatile compounds in DSY decoction, particularly
those derived from TX, may exert protective effects on the
3. Results and discussion gastric mucosa by enhancing gastric motility and reducing
acid retention.
3.1. Optimization of HS-GC-MS analysis conditions
The effects of headspace sampling conditions, including 3.3. Optimization of UHPLC-Orbitrap Exploris MS
split ratio, equilibrium temperature, and equilibrium analysis conditions
time, on the HS–GC–MS analysis of DSY decoction were To improve the accuracy of the systematic characterization
systematically investigated. Evaluation criteria included of the nonvolatile compounds of DSY decoction, the
the peak areas of the five representative compounds with chromatographic separation conditions and stationary
the highest response values (furfural, bornyl acetate, phases were systematically optimized. Each experimental
2-methoxy-4-vinylphenol, α-santalol, and cis-nuciferol) condition was replicated three times. In the mobile phase
and the total number of peaks detected under each evaluation (Figure 3), it was observed that the peaks
condition. The examination results are shown in Figure 1 exhibited improved response and separation when 0.1%

Volume 9 Issue 3 (2025) 171 doi: 10.36922/EJMO025160124