{"title":"从紫荆中分离出两个新的倍半萜酚咖啡酸酯。Benth交货。及其α-葡萄糖苷酶抑制活性。","authors":"Xingping Zhang, Wenjie Ma, Kepu Huang, Congxi Gao, Xiaoxue Jiang, Mingming Li, Kou Wang","doi":"10.1016/j.fitote.2024.106327","DOIUrl":null,"url":null,"abstract":"<p><p>Two new sesquiterpenol caffeates, bausesquitate A (1) and bausesquitate B (2), were isolated from the stems and leaves of Bauhinia brychycarpa. Structures of two compounds were confirmed by UV, IR, HR-ESI-MS, 1D and 2D NMR, ECD spectra and DP4+ probability analysis. In vitro, compounds 1 and 2 showed better inhibitory effect on α-glucosidase than acarbose (IC<sub>50</sub> = 280.50 ± 6.27 μM) with the IC<sub>50</sub> values of 1.81 ± 0.12 μM and 3.79 ± 0.27 μM. Additionally, molecular docking and molecular dynamics simulation were performed to analyze the potential binding sites.</p>","PeriodicalId":12147,"journal":{"name":"Fitoterapia","volume":"180 ","pages":"106327"},"PeriodicalIF":2.5000,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Two new sesquiterpenol caffeates from Bauhinia brychycarpa Wall. ex Benth. and their α-glucosidase inhibitory activity.\",\"authors\":\"Xingping Zhang, Wenjie Ma, Kepu Huang, Congxi Gao, Xiaoxue Jiang, Mingming Li, Kou Wang\",\"doi\":\"10.1016/j.fitote.2024.106327\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>Two new sesquiterpenol caffeates, bausesquitate A (1) and bausesquitate B (2), were isolated from the stems and leaves of Bauhinia brychycarpa. Structures of two compounds were confirmed by UV, IR, HR-ESI-MS, 1D and 2D NMR, ECD spectra and DP4+ probability analysis. In vitro, compounds 1 and 2 showed better inhibitory effect on α-glucosidase than acarbose (IC<sub>50</sub> = 280.50 ± 6.27 μM) with the IC<sub>50</sub> values of 1.81 ± 0.12 μM and 3.79 ± 0.27 μM. Additionally, molecular docking and molecular dynamics simulation were performed to analyze the potential binding sites.</p>\",\"PeriodicalId\":12147,\"journal\":{\"name\":\"Fitoterapia\",\"volume\":\"180 \",\"pages\":\"106327\"},\"PeriodicalIF\":2.5000,\"publicationDate\":\"2025-01-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Fitoterapia\",\"FirstCategoryId\":\"3\",\"ListUrlMain\":\"https://doi.org/10.1016/j.fitote.2024.106327\",\"RegionNum\":3,\"RegionCategory\":\"医学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"2024/12/4 0:00:00\",\"PubModel\":\"Epub\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, MEDICINAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Fitoterapia","FirstCategoryId":"3","ListUrlMain":"https://doi.org/10.1016/j.fitote.2024.106327","RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2024/12/4 0:00:00","PubModel":"Epub","JCR":"Q3","JCRName":"CHEMISTRY, MEDICINAL","Score":null,"Total":0}
Two new sesquiterpenol caffeates from Bauhinia brychycarpa Wall. ex Benth. and their α-glucosidase inhibitory activity.
Two new sesquiterpenol caffeates, bausesquitate A (1) and bausesquitate B (2), were isolated from the stems and leaves of Bauhinia brychycarpa. Structures of two compounds were confirmed by UV, IR, HR-ESI-MS, 1D and 2D NMR, ECD spectra and DP4+ probability analysis. In vitro, compounds 1 and 2 showed better inhibitory effect on α-glucosidase than acarbose (IC50 = 280.50 ± 6.27 μM) with the IC50 values of 1.81 ± 0.12 μM and 3.79 ± 0.27 μM. Additionally, molecular docking and molecular dynamics simulation were performed to analyze the potential binding sites.
期刊介绍:
Fitoterapia is a Journal dedicated to medicinal plants and to bioactive natural products of plant origin. It publishes original contributions in seven major areas:
1. Characterization of active ingredients of medicinal plants
2. Development of standardization method for bioactive plant extracts and natural products
3. Identification of bioactivity in plant extracts
4. Identification of targets and mechanism of activity of plant extracts
5. Production and genomic characterization of medicinal plants biomass
6. Chemistry and biochemistry of bioactive natural products of plant origin
7. Critical reviews of the historical, clinical and legal status of medicinal plants, and accounts on topical issues.