Chemometrics integrated with in silico pharmacology to reveal antioxidative and anti-inflammatory markers of dandelion for its quality control
© 2022. The Author(s)..
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 lagging behind. Only in Chinese Pharmacopeia, cichoric acid is used as a marker compound for its quality evaluation, whereas, it 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. Firstly, the major chemicals in dandelion were characterized using HPLC-DAD-MS/MS, and the corresponding antioxidant and anti-inflammatory activities were evaluated in vitro. Subsequently, the active components were screened by relating the chemicals and bioactivity of dandelion via grey relational assay and partial least squares regression analysis. The potential active components were then subjected to a validation for their activities. Moreover, 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 owing to their good correlations with the bioactivities of dandelion. These three markers were quantified in frequently-used dandelion species, viz. Taraxacum mongolicum Hand.-Mazz. (TAM) and T. officinale F. H. Wigg. (TAO). TAM, with acceptably higher content of cichoric acid and caffeic acid, showed better antioxidant activity than TAO. While TAO included higher content of luteolin, presenting slightly more effective in anti-inflammation.
CONCLUSION: An useful strategy for the quality marker discovery was successfully designed. And the results provided more knowledge for the quality evaluation of dandelion.
| Medienart: |
E-Artikel |
|---|
| Erscheinungsjahr: |
2022 |
|---|---|
| Erschienen: |
2022 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:17 |
|---|---|
| Enthalten in: |
Chinese medicine - 17(2022), 1 vom: 04. Nov., Seite 125 |
| Sprache: |
Englisch |
|---|
| Beteiligte Personen: |
Liu, Feng-Jie [VerfasserIn] |
|---|
| Links: |
|---|
| Themen: |
Anti-inflammatory |
|---|
| Anmerkungen: |
Date Revised 08.11.2022 published: Electronic Citation Status PubMed-not-MEDLINE |
|---|
| doi: |
10.1186/s13020-022-00679-4 |
|---|
| funding: |
|
|---|---|
| Förderinstitution / Projekttitel: |
|
| PPN (Katalog-ID): |
NLM348475950 |
|---|
| LEADER | 01000naa a22002652 4500 | ||
|---|---|---|---|
| 001 | NLM348475950 | ||
| 003 | DE-627 | ||
| 005 | 20231226040324.0 | ||
| 007 | cr uuu---uuuuu | ||
| 008 | 231226s2022 xx |||||o 00| ||eng c | ||
| 024 | 7 | |a 10.1186/s13020-022-00679-4 |2 doi | |
| 028 | 5 | 2 | |a pubmed24n1161.xml |
| 035 | |a (DE-627)NLM348475950 | ||
| 035 | |a (NLM)36333721 | ||
| 040 | |a DE-627 |b ger |c DE-627 |e rakwb | ||
| 041 | |a eng | ||
| 100 | 1 | |a Liu, Feng-Jie |e verfasserin |4 aut | |
| 245 | 1 | 0 | |a Chemometrics integrated with in silico pharmacology to reveal antioxidative and anti-inflammatory markers of dandelion for its quality control |
| 264 | 1 | |c 2022 | |
| 336 | |a Text |b txt |2 rdacontent | ||
| 337 | |a ƒaComputermedien |b c |2 rdamedia | ||
| 338 | |a ƒa Online-Ressource |b cr |2 rdacarrier | ||
| 500 | |a Date Revised 08.11.2022 | ||
| 500 | |a published: Electronic | ||
| 500 | |a Citation Status PubMed-not-MEDLINE | ||
| 520 | |a © 2022. The Author(s). | ||
| 520 | |a 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 lagging behind. Only in Chinese Pharmacopeia, cichoric acid is used as a marker compound for its quality evaluation, whereas, it can not comprehensively reflect the bioactivity of dandelion | ||
| 520 | |a METHODS: This study developed a strategy by integrating chemometrics with in silico pharmacology to reveal the bioactive markers of dandelion for its quality control. Firstly, the major chemicals in dandelion were characterized using HPLC-DAD-MS/MS, and the corresponding antioxidant and anti-inflammatory activities were evaluated in vitro. Subsequently, the active components were screened by relating the chemicals and bioactivity of dandelion via grey relational assay and partial least squares regression analysis. The potential active components were then subjected to a validation for their activities. Moreover, in silico pharmacology was utilized to evaluate the contribution of active components to efficacy | ||
| 520 | |a RESULTS: A total of 22 phenolic compounds were characterized. Among them, cichoric acid, caffeic acid and luteolin were identified as quality markers owing to their good correlations with the bioactivities of dandelion. These three markers were quantified in frequently-used dandelion species, viz. Taraxacum mongolicum Hand.-Mazz. (TAM) and T. officinale F. H. Wigg. (TAO). TAM, with acceptably higher content of cichoric acid and caffeic acid, showed better antioxidant activity than TAO. While TAO included higher content of luteolin, presenting slightly more effective in anti-inflammation | ||
| 520 | |a CONCLUSION: An useful strategy for the quality marker discovery was successfully designed. And the results provided more knowledge for the quality evaluation of dandelion | ||
| 650 | 4 | |a Journal Article | |
| 650 | 4 | |a Anti-inflammatory | |
| 650 | 4 | |a Antioxidant | |
| 650 | 4 | |a Chemometrics | |
| 650 | 4 | |a Dandelion | |
| 650 | 4 | |a In silico pharmacology | |
| 650 | 4 | |a Quality control | |
| 700 | 1 | |a Yang, Jiao |e verfasserin |4 aut | |
| 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 | |
| 773 | 0 | 8 | |i Enthalten in |t Chinese medicine |d 2006 |g 17(2022), 1 vom: 04. Nov., Seite 125 |w (DE-627)NLM16826367X |x 1749-8546 |7 nnns |
| 773 | 1 | 8 | |g volume:17 |g year:2022 |g number:1 |g day:04 |g month:11 |g pages:125 |
| 856 | 4 | 0 | |u http://dx.doi.org/10.1186/s13020-022-00679-4 |3 Volltext |
| 912 | |a GBV_USEFLAG_A | ||
| 912 | |a GBV_NLM | ||
| 951 | |a AR | ||
| 952 | |d 17 |j 2022 |e 1 |b 04 |c 11 |h 125 | ||