Xanthine oxidase inhibitory peptides derived from tuna protein : virtual screening, inhibitory activity, and molecular mechanisms
© 2020 Society of Chemical Industry..
BACKGROUND: There has been growing interest in the use of xanthine oxidase (XO) as a therapeutic agent to prevent gout and hyperuricemia. In the present study, XO inhibitory peptides were identified from tuna protein by virtual screening, and molecular docking was used to elicit the interaction mechanism between XO and peptides.
RESULTS: A novel tetrapeptide, EEAK, exhibited high XO inhibitory activity with an IC50 of 173.00 ± 0.06 μM. Molecular docking analysis revealed that EEAK bound with the pivotal residues of XO's active sites (i.e., Glu802, Arg880, Glu1261) through two conventional hydrogen bond interactions, two attractive charge interactions, and one salt bridge. EEAK could also bind with the residues Phe649, Leu648, Lys771, Ser876, Phe914, and Thr1010 of XO.
CONCLUSION: This study suggested that conventional hydrogen bond interactions and electrostatic interactions play an important role in XO inhibition. The novel XO inhibitory peptide EEAK from tuna protein could be used as potential candidate for controlling gout and hyperuricemia. © 2020 Society of Chemical Industry.
| Medienart: |
E-Artikel |
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| Erscheinungsjahr: |
2021 |
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| Erschienen: |
2021 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:101 |
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| Enthalten in: |
Journal of the science of food and agriculture - 101(2021), 4 vom: 15. März, Seite 1349-1354 |
| Sprache: |
Englisch |
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| Beteiligte Personen: |
Yu, Zhipeng [VerfasserIn] |
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| Links: |
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| Themen: |
EC 1.17.3.2 |
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| Anmerkungen: |
Date Completed 06.04.2021 Date Revised 06.04.2021 published: Print-Electronic Citation Status MEDLINE |
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| doi: |
10.1002/jsfa.10745 |
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| funding: |
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| Förderinstitution / Projekttitel: |
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| PPN (Katalog-ID): |
NLM31394265X |
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| 100 | 1 | |a Yu, Zhipeng |e verfasserin |4 aut | |
| 245 | 1 | 0 | |a Xanthine oxidase inhibitory peptides derived from tuna protein |b virtual screening, inhibitory activity, and molecular mechanisms |
| 264 | 1 | |c 2021 | |
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| 500 | |a Date Completed 06.04.2021 | ||
| 500 | |a Date Revised 06.04.2021 | ||
| 500 | |a published: Print-Electronic | ||
| 500 | |a Citation Status MEDLINE | ||
| 520 | |a © 2020 Society of Chemical Industry. | ||
| 520 | |a BACKGROUND: There has been growing interest in the use of xanthine oxidase (XO) as a therapeutic agent to prevent gout and hyperuricemia. In the present study, XO inhibitory peptides were identified from tuna protein by virtual screening, and molecular docking was used to elicit the interaction mechanism between XO and peptides | ||
| 520 | |a RESULTS: A novel tetrapeptide, EEAK, exhibited high XO inhibitory activity with an IC50 of 173.00 ± 0.06 μM. Molecular docking analysis revealed that EEAK bound with the pivotal residues of XO's active sites (i.e., Glu802, Arg880, Glu1261) through two conventional hydrogen bond interactions, two attractive charge interactions, and one salt bridge. EEAK could also bind with the residues Phe649, Leu648, Lys771, Ser876, Phe914, and Thr1010 of XO | ||
| 520 | |a CONCLUSION: This study suggested that conventional hydrogen bond interactions and electrostatic interactions play an important role in XO inhibition. The novel XO inhibitory peptide EEAK from tuna protein could be used as potential candidate for controlling gout and hyperuricemia. © 2020 Society of Chemical Industry | ||
| 650 | 4 | |a Journal Article | |
| 650 | 4 | |a inhibition mechanism | |
| 650 | 4 | |a molecular docking | |
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| 650 | 4 | |a xanthine oxidase | |
| 650 | 7 | |a Enzyme Inhibitors |2 NLM | |
| 650 | 7 | |a Fish Proteins |2 NLM | |
| 650 | 7 | |a Peptides |2 NLM | |
| 650 | 7 | |a Xanthine Oxidase |2 NLM | |
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| 700 | 1 | |a Kan, Ruotong |e verfasserin |4 aut | |
| 700 | 1 | |a Wu, Sijia |e verfasserin |4 aut | |
| 700 | 1 | |a Guo, Hui |e verfasserin |4 aut | |
| 700 | 1 | |a Zhao, Wenzhu |e verfasserin |4 aut | |
| 700 | 1 | |a Ding, Long |e verfasserin |4 aut | |
| 700 | 1 | |a Zheng, Fuping |e verfasserin |4 aut | |
| 700 | 1 | |a Liu, Jingbo |e verfasserin |4 aut | |
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