Cellulose filter paper immobilized α-glucosidase as a target enzyme-oriented fishing tool for screening inhibitors from Cyclocarya paliurus leaves
Cyclocarya paliurus leaves have exhibited a good hypoglycemic activity, however, the active compounds and inhibitory mechanisms against α-glucosidase remained unclear. In this study, a target enzyme-oriented fishing strategy based on cellulose filter paper (CFP) immobilized α-glucosidase combined wi...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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Elsevier
2023-06-01
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| Series: | Arabian Journal of Chemistry |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S1878535223002642 |
| _version_ | 1797846353924063232 |
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| author | Yan-Jun Li Guang-Zhen Wan Zhao-Hui Guo Juan Chen |
| author_facet | Yan-Jun Li Guang-Zhen Wan Zhao-Hui Guo Juan Chen |
| author_sort | Yan-Jun Li |
| collection | DOAJ |
| description | Cyclocarya paliurus leaves have exhibited a good hypoglycemic activity, however, the active compounds and inhibitory mechanisms against α-glucosidase remained unclear. In this study, a target enzyme-oriented fishing strategy based on cellulose filter paper (CFP) immobilized α-glucosidase combined with ultra-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-QTOF-MS/MS) and molecular docking was developed to screen and identify potential α-glucosidase inhibitors from C. paliurus leaves. Cellulose filter paper (CFP) as the carrier was modified by polydopamine/polyethyleneimine (PDA/PEI) co-deposition to form a uniform positive charge coating on the surface, and then α-glucosidase was immobilized on the modified CFP by electrostatic adsorption. By virtue of its instantaneous separation characteristic, the CPF-immobilized α-glucosidase was used as a target enzyme-oriented fishing tool to rapidly capture active compounds bound to α-glucosidase from the complex plant system. 36 active compounds were fished out from 70% ethanol fraction of C. paliurus leaves (IC50, 17.81 µg/mL), and further characterized by UPLC-QTOF-MS/MS. Furthermore, molecular docking was employed to predict inhibitory mechanisms, and the result showed that cyclocarioside A, cypaliuruside K, cypaliuruside J, cyclocarioside C, cyclocarioside I and pterocaryoside A could effectively interact with α-glucosidase by forming hydrogen bonds, hydrophobic bindings and Van der Waals force, and affinity energies ranged from −9.4 to −8.0 kJ/mol. Such a target enzyme-oriented fishing strategy would open a pathway for discovering targeted active compounds from medicinal plants. |
| first_indexed | 2024-04-09T17:54:36Z |
| format | Article |
| id | doaj.art-5fa7412b1df34a1cb150a62c291aa120 |
| institution | Directory Open Access Journal |
| issn | 1878-5352 |
| language | English |
| last_indexed | 2024-04-09T17:54:36Z |
| publishDate | 2023-06-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Arabian Journal of Chemistry |
| spelling | doaj.art-5fa7412b1df34a1cb150a62c291aa1202023-04-15T05:52:26ZengElsevierArabian Journal of Chemistry1878-53522023-06-01166104802Cellulose filter paper immobilized α-glucosidase as a target enzyme-oriented fishing tool for screening inhibitors from Cyclocarya paliurus leavesYan-Jun Li0Guang-Zhen Wan1Zhao-Hui Guo2Juan Chen3School of Pharmacy, Lanzhou University, Lanzhou 730000, PR ChinaSchool of Pharmacy, Lanzhou University, Lanzhou 730000, PR ChinaGansu Institute for Drug Control, Lanzhou 730000, PR China; State Drug Administration-Key Laboratory of Quality Control of Chinese Medicinal Materials and Decoction Pieces, Lanzhou 730000, PR China; Gansu Engineering Technology Laboratory for Inspection and Testing of Chinese and Tibetan Medicine, Lanzhou, PR China; Corresponding authors.School of Pharmacy, Lanzhou University, Lanzhou 730000, PR China; Corresponding authors.Cyclocarya paliurus leaves have exhibited a good hypoglycemic activity, however, the active compounds and inhibitory mechanisms against α-glucosidase remained unclear. In this study, a target enzyme-oriented fishing strategy based on cellulose filter paper (CFP) immobilized α-glucosidase combined with ultra-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-QTOF-MS/MS) and molecular docking was developed to screen and identify potential α-glucosidase inhibitors from C. paliurus leaves. Cellulose filter paper (CFP) as the carrier was modified by polydopamine/polyethyleneimine (PDA/PEI) co-deposition to form a uniform positive charge coating on the surface, and then α-glucosidase was immobilized on the modified CFP by electrostatic adsorption. By virtue of its instantaneous separation characteristic, the CPF-immobilized α-glucosidase was used as a target enzyme-oriented fishing tool to rapidly capture active compounds bound to α-glucosidase from the complex plant system. 36 active compounds were fished out from 70% ethanol fraction of C. paliurus leaves (IC50, 17.81 µg/mL), and further characterized by UPLC-QTOF-MS/MS. Furthermore, molecular docking was employed to predict inhibitory mechanisms, and the result showed that cyclocarioside A, cypaliuruside K, cypaliuruside J, cyclocarioside C, cyclocarioside I and pterocaryoside A could effectively interact with α-glucosidase by forming hydrogen bonds, hydrophobic bindings and Van der Waals force, and affinity energies ranged from −9.4 to −8.0 kJ/mol. Such a target enzyme-oriented fishing strategy would open a pathway for discovering targeted active compounds from medicinal plants.http://www.sciencedirect.com/science/article/pii/S1878535223002642Target enzyme-oriented fishing toolα-Glucosidase inhibitorsCyclocarya paliurusUPLC-QTOF-MS/MSMolecular docking |
| spellingShingle | Yan-Jun Li Guang-Zhen Wan Zhao-Hui Guo Juan Chen Cellulose filter paper immobilized α-glucosidase as a target enzyme-oriented fishing tool for screening inhibitors from Cyclocarya paliurus leaves Arabian Journal of Chemistry Target enzyme-oriented fishing tool α-Glucosidase inhibitors Cyclocarya paliurus UPLC-QTOF-MS/MS Molecular docking |
| title | Cellulose filter paper immobilized α-glucosidase as a target enzyme-oriented fishing tool for screening inhibitors from Cyclocarya paliurus leaves |
| title_full | Cellulose filter paper immobilized α-glucosidase as a target enzyme-oriented fishing tool for screening inhibitors from Cyclocarya paliurus leaves |
| title_fullStr | Cellulose filter paper immobilized α-glucosidase as a target enzyme-oriented fishing tool for screening inhibitors from Cyclocarya paliurus leaves |
| title_full_unstemmed | Cellulose filter paper immobilized α-glucosidase as a target enzyme-oriented fishing tool for screening inhibitors from Cyclocarya paliurus leaves |
| title_short | Cellulose filter paper immobilized α-glucosidase as a target enzyme-oriented fishing tool for screening inhibitors from Cyclocarya paliurus leaves |
| title_sort | cellulose filter paper immobilized α glucosidase as a target enzyme oriented fishing tool for screening inhibitors from cyclocarya paliurus leaves |
| topic | Target enzyme-oriented fishing tool α-Glucosidase inhibitors Cyclocarya paliurus UPLC-QTOF-MS/MS Molecular docking |
| url | http://www.sciencedirect.com/science/article/pii/S1878535223002642 |
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