Chemometrics integrated with in silico pharmacology to reveal antioxidative and anti-inflammatory markers of dandelion for its quality control
Abstract Background Dandelion is an herb with high nutritional and medicinal values, which has been listed in Chinese Pharmacopeia, European Pharmacopoeia and British Pharmacopoeia, gaining increasing acceptance around the world. However, the current quality control of dandelion is poor. Only in Chinese Pharmacopeia, cichoric acid, is applied as a marker compound for its quality evaluation, which can not comprehensively reflect the bioactivity of dandelion. Methods This study developed a strategy by integrating chemometrics with in silico pharmacology to reveal the bioactive markers of dandelion for its quality control. First, HPLC-DAD-MS/MS was applied to profile the major chemicals in dandelion. Second, antioxidant and anti-inflammatory activities were evaluated in vitro. Third, the active components were screened by grey relational assay and partial least squares regression analysis and were then subjected to a validation. Fourth, in silico pharmacology was utilized to evaluate the contribution of active components to efficacy. Results A total of 22 phenolic compounds were characterized. Among them, cichoric acid, caffeic acid and luteolin were identified as quality markers, which showed good correlation with the bioactivities of dandelion. The three markers were quantified in frequently used dandelion species, viz. Taraxacum mongolicum Hand.-Mazz. (TAM) and T. officinale F. H. Wigg. (TAO). TAM contained significantly higher cichoric acid and caffeic acid, showing better antioxidant activity than TAO. While TAO included higher content of luteolin, presenting a slight advantage on anti-inflammatory effect. Conclusions This study provide not only a useful strategy for the quality marker discovery, but also more knowledge for the quality evaluation of dandelion..
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Preprint| Erscheinungsjahr: |
2022 |
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| Erschienen: |
2022 |
| Enthalten in: |
ResearchSquare.com - (2022) vom: 15. Sept. Zur Gesamtaufnahme - year:2022 |
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| Sprache: |
Englisch |
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| Beteiligte Personen: |
Liu, Feng-Jie [VerfasserIn] |
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| Links: |
Volltext [kostenfrei] |
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| doi: |
10.21203/rs.3.rs-2047754/v1 |
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| PPN (Katalog-ID): |
XRA037312758 |
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| 520 | |a Abstract Background Dandelion is an herb with high nutritional and medicinal values, which has been listed in Chinese Pharmacopeia, European Pharmacopoeia and British Pharmacopoeia, gaining increasing acceptance around the world. However, the current quality control of dandelion is poor. Only in Chinese Pharmacopeia, cichoric acid, is applied as a marker compound for its quality evaluation, which can not comprehensively reflect the bioactivity of dandelion. Methods This study developed a strategy by integrating chemometrics with in silico pharmacology to reveal the bioactive markers of dandelion for its quality control. First, HPLC-DAD-MS/MS was applied to profile the major chemicals in dandelion. Second, antioxidant and anti-inflammatory activities were evaluated in vitro. Third, the active components were screened by grey relational assay and partial least squares regression analysis and were then subjected to a validation. Fourth, in silico pharmacology was utilized to evaluate the contribution of active components to efficacy. Results A total of 22 phenolic compounds were characterized. Among them, cichoric acid, caffeic acid and luteolin were identified as quality markers, which showed good correlation with the bioactivities of dandelion. The three markers were quantified in frequently used dandelion species, viz. Taraxacum mongolicum Hand.-Mazz. (TAM) and T. officinale F. H. Wigg. (TAO). TAM contained significantly higher cichoric acid and caffeic acid, showing better antioxidant activity than TAO. While TAO included higher content of luteolin, presenting a slight advantage on anti-inflammatory effect. Conclusions This study provide not only a useful strategy for the quality marker discovery, but also more knowledge for the quality evaluation of dandelion. | ||
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| 700 | 1 | |a Chen, Xu-Yan |e verfasserin |4 aut | |
| 700 | 1 | |a Yu, Ting |e verfasserin |4 aut | |
| 700 | 1 | |a Ni, Hui |e verfasserin |4 aut | |
| 700 | 1 | |a Feng, Liang |e verfasserin |4 aut | |
| 700 | 1 | |a Li, Ping |e verfasserin |4 aut | |
| 700 | 1 | |a Li, Hui-Jun |e verfasserin |4 aut | |
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