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| Prediction analysis of quality markers of the volatile oil from Alpiniae Oxyphyllae Fructus based on GC-MS and network pharmacology |
| Hits 555 Download times 515 Received:February 18, 2025 |
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| DOI
10.11656/j.issn.1672-1519.2025.08.13 |
| Key Words
Alpiniae Oxyphyllae Fructus;volatile oil;chemical components;network pharmacology |
| Author Name | Affiliation | E-mail | | YUAN Zhongcheng | Institute of Traditional Chinese Medicine of State Key Laboratory of Chinese Medicine Modernization, Tianjin Key Laboratory of Traditional Chinese Medicine Chemistry and Analysis, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China | | | ZHANG Zhicong | Institute of Traditional Chinese Medicine of State Key Laboratory of Chinese Medicine Modernization, Tianjin Key Laboratory of Traditional Chinese Medicine Chemistry and Analysis, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China | | | XU Jian | Institute of Traditional Chinese Medicine of State Key Laboratory of Chinese Medicine Modernization, Tianjin Key Laboratory of Traditional Chinese Medicine Chemistry and Analysis, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China | | | WANG Xiangqiang | Institute of Traditional Chinese Medicine of State Key Laboratory of Chinese Medicine Modernization, Tianjin Key Laboratory of Traditional Chinese Medicine Chemistry and Analysis, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China | | | WANG Yuefei | Institute of Traditional Chinese Medicine of State Key Laboratory of Chinese Medicine Modernization, Tianjin Key Laboratory of Traditional Chinese Medicine Chemistry and Analysis, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China
Haihe Laboratory of Modern Chinese Medicine, Tianjin 301617, China | | | CUI Ying | Institute of Traditional Chinese Medicine of State Key Laboratory of Chinese Medicine Modernization, Tianjin Key Laboratory of Traditional Chinese Medicine Chemistry and Analysis, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China
Haihe Laboratory of Modern Chinese Medicine, Tianjin 301617, China | | | CHAI Xin | Institute of Traditional Chinese Medicine of State Key Laboratory of Chinese Medicine Modernization, Tianjin Key Laboratory of Traditional Chinese Medicine Chemistry and Analysis, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China
Haihe Laboratory of Modern Chinese Medicine, Tianjin 301617, China | chaix0622@tjutcm.edu.cn | | XIAO Xuefeng | School of Chinese Materia Medica, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China | kai1219@163.com |
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| Abstract
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| [Objective] The volatile oil of Alpiniae Oxyphyllae Fructus was analyzed using gas chromatography-mass spectrometry（GC-MS） to identify its chemical components. Quality markers for the volatile oil of Alpiniae Oxyphyllae Fructus were predicted based on chemical compositions and network pharmacology research. [Methods] The volatile oil of Alpiniae Oxyphyllae Fructus was extracted by steam distillation. The chemical components were analyzed by GC-MS. The relative contents of the components were determined by peak area normalization. In addition，the “component-target-pathway” network was constructed by network pharmacology，and the results were verified through molecular docking. Finally，the quality markers of the volatile oil of Alpiniae Oxyphyllae Fructus were predicted. [Results] A total of 50 components were identified from 12 batches of the volatile oil of Alpiniae Oxyphyllae Fructus，with 15 common components. As the main common components，valencene，nootkatone，nootkatene，and globulol were chosen as candidate quality markers for network pharmacological analysis. The constructed relationship network analysis showed that valencene and nootkatone may be the potential quality markers of the volatile oil of Alpiniae Oxyphyllae Fructus，which can perform neuroprotective and anti-cancer effects by acting on 10 pathways through 16 key targets such as ESR1，PTGS2，and MAPK3. Besides，the molecular docking results showed that the compounds binded closely to the targets，which was consistent with the expected results. [Conclusion] Through the chemical composition analysis and network pharmacology study，the quality markers of the volatile oil from Alpiniae Oxyphyllae Fructus were predicted，which provides valuable insights into the quality markers of the volatile oil of Alpiniae Oxyphyllae Fructus，providing a reference for further quality control studies. |
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