Water Caltrop (<i>Trapa quadrispinosa</i> Roxb.) Husk Improves Oxidative Stress and Postprandial Blood Glucose in Diabetes: Phenolic Profiles, Antioxidant Activities and α-Glycosidase Inhibition of Different Fractions with In Vitro and In Silico Analyses
The aim of this study was to investigate the phenolic profiles, antioxidant activities and α-glycosidase inhibitory activities of three different phenolic fractions from water caltrop (<i>Trapa quadrispinosa</i> Roxb.) husk and to further explore the predominant compounds and their mecha...
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MDPI AG
2022-09-01
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| Series: | Antioxidants |
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| Online Access: | https://www.mdpi.com/2076-3921/11/10/1873 |
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| author | Yuanyue Zhang Shengbao Cai Shuang Ma Shuai Zhao Junjie Yi Linyan Zhou |
| author_facet | Yuanyue Zhang Shengbao Cai Shuang Ma Shuai Zhao Junjie Yi Linyan Zhou |
| author_sort | Yuanyue Zhang |
| collection | DOAJ |
| description | The aim of this study was to investigate the phenolic profiles, antioxidant activities and α-glycosidase inhibitory activities of three different phenolic fractions from water caltrop (<i>Trapa quadrispinosa</i> Roxb.) husk and to further explore the predominant compounds and their mechanisms on α-glycosidase inhibition by virtual screening and molecular dynamics. A total of 29 substances were identified and quantified in this study. Tannins were the main constituents of water caltrop husk extract. All of the free phenolic (FP), esterified phenolic (EP) and insoluble-bound phenolic (BP) fractions exhibited good antioxidant activities, and the BP had the highest radical scavenging ability with IC<sub>50</sub> values of 0.82 ± 0.12 μg/mL (ABTS) and 1.15 ± 0.02 μg/mL (DPPH), respectively (<i>p</i> < 0.05). However, compared with the EP and BP, the FP showed the strongest inhibition towards the α-glycosidase and the IC<sub>50</sub> value of FP was 1.43 ± 0.12 μg/mL. The 1,2,6-trigalloylglucose and α-glycosidase complex had better root mean square deviations (RMSD) stability via molecular dynamics simulation study. Results obtained from this study may provide a good potential natural resource for the improvement of oxidative stress injury and blood glucose control in diabetes mellitus, which could expand the use of water caltrop husk and improve its economic value. |
| first_indexed | 2024-03-09T20:49:16Z |
| format | Article |
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| institution | Directory Open Access Journal |
| issn | 2076-3921 |
| language | English |
| last_indexed | 2024-03-09T20:49:16Z |
| publishDate | 2022-09-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Antioxidants |
| spelling | doaj.art-1b3a4b2dd6f64b02a92275c12b4025fb2023-11-23T22:37:08ZengMDPI AGAntioxidants2076-39212022-09-011110187310.3390/antiox11101873Water Caltrop (<i>Trapa quadrispinosa</i> Roxb.) Husk Improves Oxidative Stress and Postprandial Blood Glucose in Diabetes: Phenolic Profiles, Antioxidant Activities and α-Glycosidase Inhibition of Different Fractions with In Vitro and In Silico AnalysesYuanyue Zhang0Shengbao Cai1Shuang Ma2Shuai Zhao3Junjie Yi4Linyan Zhou5Faculty of Food Science and Engineering, Kunming University of Science and Technology, Kunming 650500, ChinaFaculty of Food Science and Engineering, Kunming University of Science and Technology, Kunming 650500, ChinaFaculty of Food Science and Engineering, Kunming University of Science and Technology, Kunming 650500, ChinaFaculty of Food Science and Engineering, Kunming University of Science and Technology, Kunming 650500, ChinaFaculty of Food Science and Engineering, Kunming University of Science and Technology, Kunming 650500, ChinaFaculty of Food Science and Engineering, Kunming University of Science and Technology, Kunming 650500, ChinaThe aim of this study was to investigate the phenolic profiles, antioxidant activities and α-glycosidase inhibitory activities of three different phenolic fractions from water caltrop (<i>Trapa quadrispinosa</i> Roxb.) husk and to further explore the predominant compounds and their mechanisms on α-glycosidase inhibition by virtual screening and molecular dynamics. A total of 29 substances were identified and quantified in this study. Tannins were the main constituents of water caltrop husk extract. All of the free phenolic (FP), esterified phenolic (EP) and insoluble-bound phenolic (BP) fractions exhibited good antioxidant activities, and the BP had the highest radical scavenging ability with IC<sub>50</sub> values of 0.82 ± 0.12 μg/mL (ABTS) and 1.15 ± 0.02 μg/mL (DPPH), respectively (<i>p</i> < 0.05). However, compared with the EP and BP, the FP showed the strongest inhibition towards the α-glycosidase and the IC<sub>50</sub> value of FP was 1.43 ± 0.12 μg/mL. The 1,2,6-trigalloylglucose and α-glycosidase complex had better root mean square deviations (RMSD) stability via molecular dynamics simulation study. Results obtained from this study may provide a good potential natural resource for the improvement of oxidative stress injury and blood glucose control in diabetes mellitus, which could expand the use of water caltrop husk and improve its economic value.https://www.mdpi.com/2076-3921/11/10/1873antioxidant activityphenolicsUHPLC-ESI-HRMS/MSmolecular dockingmolecular dynamicsα-glycosidase inhibition |
| spellingShingle | Yuanyue Zhang Shengbao Cai Shuang Ma Shuai Zhao Junjie Yi Linyan Zhou Water Caltrop (<i>Trapa quadrispinosa</i> Roxb.) Husk Improves Oxidative Stress and Postprandial Blood Glucose in Diabetes: Phenolic Profiles, Antioxidant Activities and α-Glycosidase Inhibition of Different Fractions with In Vitro and In Silico Analyses Antioxidants antioxidant activity phenolics UHPLC-ESI-HRMS/MS molecular docking molecular dynamics α-glycosidase inhibition |
| title | Water Caltrop (<i>Trapa quadrispinosa</i> Roxb.) Husk Improves Oxidative Stress and Postprandial Blood Glucose in Diabetes: Phenolic Profiles, Antioxidant Activities and α-Glycosidase Inhibition of Different Fractions with In Vitro and In Silico Analyses |
| title_full | Water Caltrop (<i>Trapa quadrispinosa</i> Roxb.) Husk Improves Oxidative Stress and Postprandial Blood Glucose in Diabetes: Phenolic Profiles, Antioxidant Activities and α-Glycosidase Inhibition of Different Fractions with In Vitro and In Silico Analyses |
| title_fullStr | Water Caltrop (<i>Trapa quadrispinosa</i> Roxb.) Husk Improves Oxidative Stress and Postprandial Blood Glucose in Diabetes: Phenolic Profiles, Antioxidant Activities and α-Glycosidase Inhibition of Different Fractions with In Vitro and In Silico Analyses |
| title_full_unstemmed | Water Caltrop (<i>Trapa quadrispinosa</i> Roxb.) Husk Improves Oxidative Stress and Postprandial Blood Glucose in Diabetes: Phenolic Profiles, Antioxidant Activities and α-Glycosidase Inhibition of Different Fractions with In Vitro and In Silico Analyses |
| title_short | Water Caltrop (<i>Trapa quadrispinosa</i> Roxb.) Husk Improves Oxidative Stress and Postprandial Blood Glucose in Diabetes: Phenolic Profiles, Antioxidant Activities and α-Glycosidase Inhibition of Different Fractions with In Vitro and In Silico Analyses |
| title_sort | water caltrop i trapa quadrispinosa i roxb husk improves oxidative stress and postprandial blood glucose in diabetes phenolic profiles antioxidant activities and α glycosidase inhibition of different fractions with in vitro and in silico analyses |
| topic | antioxidant activity phenolics UHPLC-ESI-HRMS/MS molecular docking molecular dynamics α-glycosidase inhibition |
| url | https://www.mdpi.com/2076-3921/11/10/1873 |
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