Screening of α-Glucosidase Inhibitors in Cyclocarya paliurus Extracts Based on Affinity Ultrafiltration-Liquid Chromatography-Mass Spectrometry Combined with Correlation Analysis
Objective: To rapidly screen α-glucosidase inhibitors in the extract of Cyclocarya paliurus, the affinity ultrafiltration-liquid chromatography-mass spectrometry technique combined with correlation analysis were used to explore the relationship between the active components and enzyme inhibitory act...
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The editorial department of Science and Technology of Food Industry
2024-12-01
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| Series: | Shipin gongye ke-ji |
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| Online Access: | http://www.spgykj.com/cn/article/doi/10.13386/j.issn1002-0306.2023120362 |
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| author | Zude CHEN Boji MA Yan XIAO Rengeng SHU Bingtao LI Li JIANG Guoliang XU Qiyun ZHANG |
| author_facet | Zude CHEN Boji MA Yan XIAO Rengeng SHU Bingtao LI Li JIANG Guoliang XU Qiyun ZHANG |
| author_sort | Zude CHEN |
| collection | DOAJ |
| description | Objective: To rapidly screen α-glucosidase inhibitors in the extract of Cyclocarya paliurus, the affinity ultrafiltration-liquid chromatography-mass spectrometry technique combined with correlation analysis were used to explore the relationship between the active components and enzyme inhibitory activities. Methods: The change matrix (X matrix) of the same chemical component in ethanol elutes of different concentrations of Cyclocarya paliurus was established by using macroporous adsorption resin. The inhibitory effects of α-glucosidase at each ethanol elution site in vitro were analyzed and the effect matrix (Y matrix) was constructed. Potential active ingredients were predicted by partial least squares regression (PLS) to be compared with compounds screened by affinity ultrafiltration (AUF) and validated by molecular docking. Results: The IC50 value of 50% ethanol extract of Cyclocarya paliurus was 14.8 μg/mL, while the IC50 values of the ethanol elution of concentrations ranging from 10% to 80% after adsorption on microporous resin ranged from 5.4 μg/mL to 204.1 μg/mL. Through AUF combined with correlation analysis, a total of 10 potential active components of Cyclocarya paliurus were identified in both positive and negative ion modes. Among them, 8 triterpenoids and 2 flavonoids were identified. Further molecular docking results showed that the binding energy of the 10 active ingredients to α-glucosidase was less than −7.0 kcal·mol−1, and the binding energy of ursolic acid lactone was the lowest (−10.0 kcal·mol−1). Conclusion: The combination of AUF with correlation analysis can quickly and effectively screen potential α-glucosidase inhibitors from Cyclocarya paliurus extracts. The results of this study can lay a foundation for further identifying the active ingredients of Cyclocarya paliurus and provide a basis for further research on the quality control of active ingredients and the development of functional food. |
| format | Article |
| id | doaj-art-c0fd69947b6d4f55adda991d6107ea20 |
| institution | Kabale University |
| issn | 1002-0306 |
| language | zho |
| publishDate | 2024-12-01 |
| publisher | The editorial department of Science and Technology of Food Industry |
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| series | Shipin gongye ke-ji |
| spelling | doaj-art-c0fd69947b6d4f55adda991d6107ea202024-11-22T07:28:29ZzhoThe editorial department of Science and Technology of Food IndustryShipin gongye ke-ji1002-03062024-12-01452329029910.13386/j.issn1002-0306.20231203622023120362-23Screening of α-Glucosidase Inhibitors in Cyclocarya paliurus Extracts Based on Affinity Ultrafiltration-Liquid Chromatography-Mass Spectrometry Combined with Correlation AnalysisZude CHEN0Boji MA1Yan XIAO2Rengeng SHU3Bingtao LI4Li JIANG5Guoliang XU6Qiyun ZHANG7Research Center for Differentiation and Development of Traditional Chinese Medicine (TCM) Basic Theory, Jiangxi University of Chinese Medicine, Nanchang 330004, ChinaResearch Center for Differentiation and Development of Traditional Chinese Medicine (TCM) Basic Theory, Jiangxi University of Chinese Medicine, Nanchang 330004, ChinaResearch Center for Differentiation and Development of Traditional Chinese Medicine (TCM) Basic Theory, Jiangxi University of Chinese Medicine, Nanchang 330004, ChinaSchool of Pharmacy, Jiangxi University of Chinese Medicine, Nanchang 330004, ChinaResearch Center for Differentiation and Development of Traditional Chinese Medicine (TCM) Basic Theory, Jiangxi University of Chinese Medicine, Nanchang 330004, ChinaResearch Center for Differentiation and Development of Traditional Chinese Medicine (TCM) Basic Theory, Jiangxi University of Chinese Medicine, Nanchang 330004, ChinaResearch Center for Differentiation and Development of Traditional Chinese Medicine (TCM) Basic Theory, Jiangxi University of Chinese Medicine, Nanchang 330004, ChinaResearch Center for Differentiation and Development of Traditional Chinese Medicine (TCM) Basic Theory, Jiangxi University of Chinese Medicine, Nanchang 330004, ChinaObjective: To rapidly screen α-glucosidase inhibitors in the extract of Cyclocarya paliurus, the affinity ultrafiltration-liquid chromatography-mass spectrometry technique combined with correlation analysis were used to explore the relationship between the active components and enzyme inhibitory activities. Methods: The change matrix (X matrix) of the same chemical component in ethanol elutes of different concentrations of Cyclocarya paliurus was established by using macroporous adsorption resin. The inhibitory effects of α-glucosidase at each ethanol elution site in vitro were analyzed and the effect matrix (Y matrix) was constructed. Potential active ingredients were predicted by partial least squares regression (PLS) to be compared with compounds screened by affinity ultrafiltration (AUF) and validated by molecular docking. Results: The IC50 value of 50% ethanol extract of Cyclocarya paliurus was 14.8 μg/mL, while the IC50 values of the ethanol elution of concentrations ranging from 10% to 80% after adsorption on microporous resin ranged from 5.4 μg/mL to 204.1 μg/mL. Through AUF combined with correlation analysis, a total of 10 potential active components of Cyclocarya paliurus were identified in both positive and negative ion modes. Among them, 8 triterpenoids and 2 flavonoids were identified. Further molecular docking results showed that the binding energy of the 10 active ingredients to α-glucosidase was less than −7.0 kcal·mol−1, and the binding energy of ursolic acid lactone was the lowest (−10.0 kcal·mol−1). Conclusion: The combination of AUF with correlation analysis can quickly and effectively screen potential α-glucosidase inhibitors from Cyclocarya paliurus extracts. The results of this study can lay a foundation for further identifying the active ingredients of Cyclocarya paliurus and provide a basis for further research on the quality control of active ingredients and the development of functional food.http://www.spgykj.com/cn/article/doi/10.13386/j.issn1002-0306.2023120362cyclocarya paliurusaffinity ultrafiltrationuhplc-q-tof-ms/mspartial least squares regression (pls)molecular docking |
| spellingShingle | Zude CHEN Boji MA Yan XIAO Rengeng SHU Bingtao LI Li JIANG Guoliang XU Qiyun ZHANG Screening of α-Glucosidase Inhibitors in Cyclocarya paliurus Extracts Based on Affinity Ultrafiltration-Liquid Chromatography-Mass Spectrometry Combined with Correlation Analysis Shipin gongye ke-ji cyclocarya paliurus affinity ultrafiltration uhplc-q-tof-ms/ms partial least squares regression (pls) molecular docking |
| title | Screening of α-Glucosidase Inhibitors in Cyclocarya paliurus Extracts Based on Affinity Ultrafiltration-Liquid Chromatography-Mass Spectrometry Combined with Correlation Analysis |
| title_full | Screening of α-Glucosidase Inhibitors in Cyclocarya paliurus Extracts Based on Affinity Ultrafiltration-Liquid Chromatography-Mass Spectrometry Combined with Correlation Analysis |
| title_fullStr | Screening of α-Glucosidase Inhibitors in Cyclocarya paliurus Extracts Based on Affinity Ultrafiltration-Liquid Chromatography-Mass Spectrometry Combined with Correlation Analysis |
| title_full_unstemmed | Screening of α-Glucosidase Inhibitors in Cyclocarya paliurus Extracts Based on Affinity Ultrafiltration-Liquid Chromatography-Mass Spectrometry Combined with Correlation Analysis |
| title_short | Screening of α-Glucosidase Inhibitors in Cyclocarya paliurus Extracts Based on Affinity Ultrafiltration-Liquid Chromatography-Mass Spectrometry Combined with Correlation Analysis |
| title_sort | screening of α glucosidase inhibitors in cyclocarya paliurus extracts based on affinity ultrafiltration liquid chromatography mass spectrometry combined with correlation analysis |
| topic | cyclocarya paliurus affinity ultrafiltration uhplc-q-tof-ms/ms partial least squares regression (pls) molecular docking |
| url | http://www.spgykj.com/cn/article/doi/10.13386/j.issn1002-0306.2023120362 |
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