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Antioxidant Quality Marker of Centellae Herba Based on Spectral-Activity Correlation Analysis and Bioinformatics
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Yutong QI, Qing PENG, Shuo MENG, Li LIN, Junguo REN, Miao ZHANG*, Jianxun LIU*
Chinese Pharmaceutical Journal | 2025, 60(7) : 727 - 738
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Chinese Pharmaceutical Journal | 2025, 60(7): 727-738
Antioxidant Quality Marker of Centellae Herba Based on Spectral-Activity Correlation Analysis and Bioinformatics
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Yutong QI, Qing PENG, Shuo MENG, Li LIN, Junguo REN, Miao ZHANG*, Jianxun LIU*
Affiliations
  • China Academy of Chinese Medical Sciences, Institute of Basic Medical Sciences of Xiyuan Hospital, Beijing 100091, China
Published: 2025-04-08 doi: 10.11669/cpj.2025.07.008
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OBJECTIVE To establish HPLC fingerprints of Centellae Herba and study the spectrum-effect relationship between its fingerprints and antioxidant activity, screen the quality markers of Centellae Herba and provide a basis for its quality evaluation. METHODS To establish the HPLC fingerprint of Centellae Herba and study the results of common peak area by combining cluster analysis and principal component analysis (PCA). The antioxidant activity of 16 batches of Centellae Herba samples was evaluated by the DPPH and ABTS radical scavenging methods and apply gray correlation analysis (GCA) and partial least squares regression (PLSR) to analyze the spectrum-effect relationship between Centellae Herba fingerprint and antioxidant activity. Network pharmacology technology was introduced to analyze the core targets and construct the network relationship, the compound and core target were verified based on molecular docking to comprehensively screen the active ingredients. RESULTS The similarity range of the fingerprints spectrum was 0.819-0.982, and a total of 9 common peaks were calibrated, 7 chemical components were identified. The 16 batches of Centellae Herba were divided into four categories, all of which had antioxidant capacity and were concentration-dependent. The results of spectral correlation analysis showed that the total peaks 1 (asiaticoside B), 2 (madecassoside) and 5 (kaempferol) were closely related to the antioxidant activity of Centellae Herba, among which asiaticoside B, madecassoside and kaempferol acted on 127 targets, and the key targets were SRC, ESR1 and HSP90AB1. Based on the five principles of Q-Marker, asiaticoside B, madecassoside, kaempferol and asiaticoside were finally determined as the evaluation indexes for quality control. CONCLUSION The spectral correlation analysis between different batches of Centellae Herba and antioxidant activity can provide a reference for the excavation and overall quality control of Centellae Herba.

Centellae Herba  /  fingerprinting  /  antioxidant  /  spectrum-effect relationship  /  chemical pattern recognition  /  network pharmacology  /  molecular docking  /  quality marker
Yutong QI, Qing PENG, Shuo MENG, Li LIN, Junguo REN, Miao ZHANG, Jianxun LIU. Antioxidant Quality Marker of Centellae Herba Based on Spectral-Activity Correlation Analysis and Bioinformatics[J]. Chinese Pharmaceutical Journal, 2025 , 60 (7) : 727 -738 . DOI: 10.11669/cpj.2025.07.008
Year 2025 volume 60 Issue 7
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doi: 10.11669/cpj.2025.07.008
  • Receive Date:2024-08-15
  • Online Date:2025-11-11
  • Published:2025-04-08
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  • Received:2024-08-15
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    China Academy of Chinese Medical Sciences, Institute of Basic Medical Sciences of Xiyuan Hospital, Beijing 100091, China
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表12种不同金属材料的力学参数

Family
属数
Number of
genus
种数
Number of
species
占总种数比例
Percentage of
total species (%)

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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