Natural products as sources of acetylcholinesterase inhibitors: Synthesis, biological activities, and molecular docking studies of osthole-based ester derivatives
Osthole is a natural coumarin compound which isolated from Cnidium monnieri (L.) Cusson, has extensive pharmacological activities and could be used as a leading compound for drug research and development. In a continuous effort to develop new acetylcholinesterase inhibitors from natural products, ei...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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Frontiers Media S.A.
2022-11-01
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| Series: | Frontiers in Plant Science |
| Subjects: | |
| Online Access: | https://www.frontiersin.org/articles/10.3389/fpls.2022.1054650/full |
| _version_ | 1811308182664904704 |
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| author | Xiang Yu Xiang Yu Yan Zhang Minjie Zhang Yafang Chen Yafang Chen Wude Yang Wude Yang |
| author_facet | Xiang Yu Xiang Yu Yan Zhang Minjie Zhang Yafang Chen Yafang Chen Wude Yang Wude Yang |
| author_sort | Xiang Yu |
| collection | DOAJ |
| description | Osthole is a natural coumarin compound which isolated from Cnidium monnieri (L.) Cusson, has extensive pharmacological activities and could be used as a leading compound for drug research and development. In a continuous effort to develop new acetylcholinesterase inhibitors from natural products, eighteen osthole esters were designed, synthesized, and confirmed by 1H NMR, 13C NMR and HRMS. The anti-AChE activity of These derivatives was measured at a concentration of 1.0 mol/mL in vitro by Ellman's method, and the result showed that 4m and 4o had moderate inhibitory activities with 68.8% and 62.6%, respectively. Molecular docking study results further revealed AChE interacted optimally with docking poses 4m and 4o. Network pharmacology also predicted that compound 4m could be involved in Ras signaling pathway, which made it a potential therapeutic target of AD. |
| first_indexed | 2024-04-13T09:17:33Z |
| format | Article |
| id | doaj.art-4e0821bebb58442b96dbc6bbcf09c332 |
| institution | Directory Open Access Journal |
| issn | 1664-462X |
| language | English |
| last_indexed | 2024-04-13T09:17:33Z |
| publishDate | 2022-11-01 |
| publisher | Frontiers Media S.A. |
| record_format | Article |
| series | Frontiers in Plant Science |
| spelling | doaj.art-4e0821bebb58442b96dbc6bbcf09c3322022-12-22T02:52:41ZengFrontiers Media S.A.Frontiers in Plant Science1664-462X2022-11-011310.3389/fpls.2022.10546501054650Natural products as sources of acetylcholinesterase inhibitors: Synthesis, biological activities, and molecular docking studies of osthole-based ester derivativesXiang Yu0Xiang Yu1Yan Zhang2Minjie Zhang3Yafang Chen4Yafang Chen5Wude Yang6Wude Yang7College of Pharmacy, Guizhou University of Traditional Chinese Medicne, Guiyang, ChinaGuizhou Joint Laboratory for International Cooperation in Ethnic Medicine, Guizhou University of Traditional Chinese Medicne, Guiyang, ChinaCollege of Pharmacy, Guizhou University of Traditional Chinese Medicne, Guiyang, ChinaCollege of Pharmacy, Guizhou University of Traditional Chinese Medicne, Guiyang, ChinaCollege of Pharmacy, Guizhou University of Traditional Chinese Medicne, Guiyang, ChinaGuizhou Joint Laboratory for International Cooperation in Ethnic Medicine, Guizhou University of Traditional Chinese Medicne, Guiyang, ChinaCollege of Pharmacy, Guizhou University of Traditional Chinese Medicne, Guiyang, ChinaGuizhou Joint Laboratory for International Cooperation in Ethnic Medicine, Guizhou University of Traditional Chinese Medicne, Guiyang, ChinaOsthole is a natural coumarin compound which isolated from Cnidium monnieri (L.) Cusson, has extensive pharmacological activities and could be used as a leading compound for drug research and development. In a continuous effort to develop new acetylcholinesterase inhibitors from natural products, eighteen osthole esters were designed, synthesized, and confirmed by 1H NMR, 13C NMR and HRMS. The anti-AChE activity of These derivatives was measured at a concentration of 1.0 mol/mL in vitro by Ellman's method, and the result showed that 4m and 4o had moderate inhibitory activities with 68.8% and 62.6%, respectively. Molecular docking study results further revealed AChE interacted optimally with docking poses 4m and 4o. Network pharmacology also predicted that compound 4m could be involved in Ras signaling pathway, which made it a potential therapeutic target of AD.https://www.frontiersin.org/articles/10.3389/fpls.2022.1054650/fullostholestructural modificationacetylcholinesterase inhibitormolecular dockingnetwork pharmacology |
| spellingShingle | Xiang Yu Xiang Yu Yan Zhang Minjie Zhang Yafang Chen Yafang Chen Wude Yang Wude Yang Natural products as sources of acetylcholinesterase inhibitors: Synthesis, biological activities, and molecular docking studies of osthole-based ester derivatives Frontiers in Plant Science osthole structural modification acetylcholinesterase inhibitor molecular docking network pharmacology |
| title | Natural products as sources of acetylcholinesterase inhibitors: Synthesis, biological activities, and molecular docking studies of osthole-based ester derivatives |
| title_full | Natural products as sources of acetylcholinesterase inhibitors: Synthesis, biological activities, and molecular docking studies of osthole-based ester derivatives |
| title_fullStr | Natural products as sources of acetylcholinesterase inhibitors: Synthesis, biological activities, and molecular docking studies of osthole-based ester derivatives |
| title_full_unstemmed | Natural products as sources of acetylcholinesterase inhibitors: Synthesis, biological activities, and molecular docking studies of osthole-based ester derivatives |
| title_short | Natural products as sources of acetylcholinesterase inhibitors: Synthesis, biological activities, and molecular docking studies of osthole-based ester derivatives |
| title_sort | natural products as sources of acetylcholinesterase inhibitors synthesis biological activities and molecular docking studies of osthole based ester derivatives |
| topic | osthole structural modification acetylcholinesterase inhibitor molecular docking network pharmacology |
| url | https://www.frontiersin.org/articles/10.3389/fpls.2022.1054650/full |
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