Identification of antidiabetic constituents in Polygonatum odoratum (Mill.) Druce by UPLC-Orbitrap-MS, network pharmacology and molecular docking
Polygonatum odoratum has been known as having therapeutic effects on diabetes. However, due to its complex composition, it is difficult to elucidate the molecular mechanisms of its functions. In this study, we investigated the material basis and molecular mechanisms underlying the antidiabetic activ...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
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Elsevier
2023-09-01
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| Series: | Arabian Journal of Chemistry |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S187853522300494X |
| _version_ | 1827897778010849280 |
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| author | Qing-Hua Liu Jia-Qi Li Jia-Wei Tang Yu-Dong Zhang Ming-Yue Zhou Wei Zhang Liang Wang |
| author_facet | Qing-Hua Liu Jia-Qi Li Jia-Wei Tang Yu-Dong Zhang Ming-Yue Zhou Wei Zhang Liang Wang |
| author_sort | Qing-Hua Liu |
| collection | DOAJ |
| description | Polygonatum odoratum has been known as having therapeutic effects on diabetes. However, due to its complex composition, it is difficult to elucidate the molecular mechanisms of its functions. In this study, we investigated the material basis and molecular mechanisms underlying the antidiabetic activities of methanol extract of P. odoratum (Mill.) Druce by ultra-performance liquid chromatography orbitrap mass spectrometry (UPLC-Orbitrap-MS) and network pharmacology. In specificity, we first constructed a compound-protein interaction network for type 2 diabetes mellitus (T2DM) to identify potential drug targets. Disease Ontology (DO), Gene Ontology (GO), and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analysis were then conducted to discover the pathways involved in the antidiabetic activities of P. odoratum. Among the 334 compounds detected in P. odoratum, 277 active constituents and 897 corresponding targets were identified to be associated with antidiabetic activities. Five compounds and five targets were consequently obtained by analyzing the compound-target-pathway network. The five compounds were 9-Aminocamptothecin, 9-Methoxycamptothecin, 5-Hydroxy-1-tetralone, 5,7,3′-Trihydroxy-6,4′,5′-trimethoxyflavone, and Diacerein, while the five targets were ACTB, JUN, STAT3, HIF1A, and MMP9. In addition, 30 antidiabetic-related pathways were recognized by using KEGG pathway analysis. Moreover, molecular docking was performed with the five essential compounds and the top five targets based on degree ranking. Our study confirms that active components in P. odoratum can exert antidiabetic activities via multi-component, multi-target, and multi-pathway mechanisms of action, which serves as a practical guidance for further experimental investigations into the biological functions of the methanol extract of P. odoratum in the treatment of T2DM. |
| first_indexed | 2024-03-12T22:54:31Z |
| format | Article |
| id | doaj.art-f9c8e7e625bd42ccbdb91d32f538ed89 |
| institution | Directory Open Access Journal |
| issn | 1878-5352 |
| language | English |
| last_indexed | 2024-03-12T22:54:31Z |
| publishDate | 2023-09-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Arabian Journal of Chemistry |
| spelling | doaj.art-f9c8e7e625bd42ccbdb91d32f538ed892023-07-20T04:37:56ZengElsevierArabian Journal of Chemistry1878-53522023-09-01169105032Identification of antidiabetic constituents in Polygonatum odoratum (Mill.) Druce by UPLC-Orbitrap-MS, network pharmacology and molecular dockingQing-Hua Liu0Jia-Qi Li1Jia-Wei Tang2Yu-Dong Zhang3Ming-Yue Zhou4Wei Zhang5Liang Wang6State Key Laboratory of Quality Research in Chinese Medicines, Macau University of Science and Technology, Macao, Macau SAR, ChinaSchool of Medical Informatics and Engineering, Xuzhou Medical University, Xuzhou, Jiangsu, ChinaSchool of Medical Informatics and Engineering, Xuzhou Medical University, Xuzhou, Jiangsu, ChinaSchool of First Clinical Medicine, Xuzhou Medical University, Xuzhou, Jiangsu Province, ChinaState Key Laboratory of Quality Research in Chinese Medicines, Macau University of Science and Technology, Macao, Macau SAR, ChinaState Key Laboratory of Quality Research in Chinese Medicines, Macau University of Science and Technology, Macao, Macau SAR, China; Corresponding authors.Laboratory Medicine, Guangdong Provincial People’s Hospital (Guangdong Academy of Medical Sciences), Southern Medical University, Guangzhou, Guangdong, China; Corresponding authors.Polygonatum odoratum has been known as having therapeutic effects on diabetes. However, due to its complex composition, it is difficult to elucidate the molecular mechanisms of its functions. In this study, we investigated the material basis and molecular mechanisms underlying the antidiabetic activities of methanol extract of P. odoratum (Mill.) Druce by ultra-performance liquid chromatography orbitrap mass spectrometry (UPLC-Orbitrap-MS) and network pharmacology. In specificity, we first constructed a compound-protein interaction network for type 2 diabetes mellitus (T2DM) to identify potential drug targets. Disease Ontology (DO), Gene Ontology (GO), and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analysis were then conducted to discover the pathways involved in the antidiabetic activities of P. odoratum. Among the 334 compounds detected in P. odoratum, 277 active constituents and 897 corresponding targets were identified to be associated with antidiabetic activities. Five compounds and five targets were consequently obtained by analyzing the compound-target-pathway network. The five compounds were 9-Aminocamptothecin, 9-Methoxycamptothecin, 5-Hydroxy-1-tetralone, 5,7,3′-Trihydroxy-6,4′,5′-trimethoxyflavone, and Diacerein, while the five targets were ACTB, JUN, STAT3, HIF1A, and MMP9. In addition, 30 antidiabetic-related pathways were recognized by using KEGG pathway analysis. Moreover, molecular docking was performed with the five essential compounds and the top five targets based on degree ranking. Our study confirms that active components in P. odoratum can exert antidiabetic activities via multi-component, multi-target, and multi-pathway mechanisms of action, which serves as a practical guidance for further experimental investigations into the biological functions of the methanol extract of P. odoratum in the treatment of T2DM.http://www.sciencedirect.com/science/article/pii/S187853522300494XT2DMPolygonatum odoratumNetwork pharmacologyMass spectrometryMolecular docking |
| spellingShingle | Qing-Hua Liu Jia-Qi Li Jia-Wei Tang Yu-Dong Zhang Ming-Yue Zhou Wei Zhang Liang Wang Identification of antidiabetic constituents in Polygonatum odoratum (Mill.) Druce by UPLC-Orbitrap-MS, network pharmacology and molecular docking Arabian Journal of Chemistry T2DM Polygonatum odoratum Network pharmacology Mass spectrometry Molecular docking |
| title | Identification of antidiabetic constituents in Polygonatum odoratum (Mill.) Druce by UPLC-Orbitrap-MS, network pharmacology and molecular docking |
| title_full | Identification of antidiabetic constituents in Polygonatum odoratum (Mill.) Druce by UPLC-Orbitrap-MS, network pharmacology and molecular docking |
| title_fullStr | Identification of antidiabetic constituents in Polygonatum odoratum (Mill.) Druce by UPLC-Orbitrap-MS, network pharmacology and molecular docking |
| title_full_unstemmed | Identification of antidiabetic constituents in Polygonatum odoratum (Mill.) Druce by UPLC-Orbitrap-MS, network pharmacology and molecular docking |
| title_short | Identification of antidiabetic constituents in Polygonatum odoratum (Mill.) Druce by UPLC-Orbitrap-MS, network pharmacology and molecular docking |
| title_sort | identification of antidiabetic constituents in polygonatum odoratum mill druce by uplc orbitrap ms network pharmacology and molecular docking |
| topic | T2DM Polygonatum odoratum Network pharmacology Mass spectrometry Molecular docking |
| url | http://www.sciencedirect.com/science/article/pii/S187853522300494X |
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