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Prediction of potential quality markers of Aurantii fructus immaturus based on chemical pattern recognition and network pharmacology
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Can LI1, 2, Juan ZENG1, 2, Yu-qing LONG1, 2, Mei ZENG1, 2, Xin-ru ZHOU1, 2, Min YANG1, 2, Yi-yun ZHOU3, Ri-bao ZHOU1, 2, 4, Xiang-dan LIU1, 2, 4
Chinese Journal of New Drugs | 2023, 32(12) : 1243 - 1252
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Chinese Journal of New Drugs | 2023, 32(12): 1243-1252
Prediction of potential quality markers of Aurantii fructus immaturus based on chemical pattern recognition and network pharmacology
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Can LI1, 2, Juan ZENG1, 2, Yu-qing LONG1, 2, Mei ZENG1, 2, Xin-ru ZHOU1, 2, Min YANG1, 2, Yi-yun ZHOU3, Ri-bao ZHOU1, 2, 4, Xiang-dan LIU1, 2, 4
Affiliations
  • 1School of Pharmacy, Hunan University of Traditional Chinese Medicine, Changsha 410208, China
  • 2Key Laboratory of Germplasm Resources and Standardized Planting of Bulk Authentic Medicinal Materials, Hunan University of Traditional Chinese Medicine, Changsha 410208, China
  • 3Hunan Huaxia Xiangzhong Co., Ltd., Anren 423600, China
  • 4Hunan Provincial Key Laboratory of Traditional Chinese Medicine Modernization Research in Colleges and Universities, Hunan University of Traditional Chinese Medicine, Changsha 410208, China
Published: 2023-06-30
Outline
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Objective:

To analyse and predict the potential quality markers of Aurantii fructus immaturus which based on HPLC fingerprint, chemical pattern recognition, the "Five Principles" of quality markers and network pharmacology.

Methods:

The fingerprint of Aurantii fructus immaturus was established by HPLC; OPLS-DA was used to screen the main difference components among the common peak groups; the "active ingredient-target-pathway" network of differential components was constructed by network pharmacology method to further support its rationality as potential quality makers (Q-Marker) of Aurantii fructus immaturus.

Results:

The fingerprints of 22 batches of Aurantii fructus immaturus were established, and 36 common peaks were identified. Two different components of naringin and neohesperidin were screened by OPLS-DA analysis. Network pharmacology confirmed that naringin and neohesperidin can be used as potential Q-Markers of Aurantii fructus immaturus.

Conclusion:

The established HPLC fingerprint method is stable and feasible, and the two differential components of naringin and neohesperidin screened can be used as potential Q-Markers of Aurantii fructus immaturus, which provided reference for the quality control and pharmacological mechanism research of Aurantii fructus immaturus.

Aurantii fructus immaturus  /  quality marker  /  fingerprint  /  OPLS-DA  /  network pharmacology  /  naringin  /  neohesperidin
Can LI, Juan ZENG, Yu-qing LONG, Mei ZENG, Xin-ru ZHOU, Min YANG, Yi-yun ZHOU, Ri-bao ZHOU, Xiang-dan LIU. Prediction of potential quality markers of Aurantii fructus immaturus based on chemical pattern recognition and network pharmacology[J]. Chinese Journal of New Drugs, 2023 , 32 (12) : 1243 -1252 .
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Year 2023 volume 32 Issue 12
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Article Info
  • Online Date：2026-03-06
  • Published：2023-06-30
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History
  • Accepted：2022-11-25
Funding
Affiliations
    1School of Pharmacy, Hunan University of Traditional Chinese Medicine, Changsha 410208, China
    2Key Laboratory of Germplasm Resources and Standardized Planting of Bulk Authentic Medicinal Materials, Hunan University of Traditional Chinese Medicine, Changsha 410208, China
    3Hunan Huaxia Xiangzhong Co., Ltd., Anren 423600, China
    4Hunan Provincial Key Laboratory of Traditional Chinese Medicine Modernization Research in Colleges and Universities, Hunan University of Traditional Chinese Medicine, Changsha 410208, China
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表12种不同金属材料的力学参数
科
Family		 属数
Number of
genus		 种数
Number of
species		 占总种数比例
Percentage of
total species (%)		 属
Genus		 种数
Number of
species		 占总种数比例
Percentage of total
species (%)
鹅膏菌科Amanitaceae 2 11 5.26 鹅膏菌属 Amanita 10 4.78
小菇科 Mycenaceae 2 12 5.74 丝盖伞属 Inocybe 5 2.39
多孔菌科 Polyporaceae 8 14 6.70 蜡蘑属 Laccaria 5 2.39
红菇科 Russulaceae 3 23 11.00 小皮伞属 Marasmius 6 2.87
小菇属 Mycena 11 5.26
光柄菇属 Pluteus 5 2.39
红菇属 Russula 17 8.13
栓菌属 Trametes 5 2.39
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