Screening and elucidation of chemical structures of novel mammalian α-glucosidase inhibitors targeting anti-diabetes drug from herbals used by E De ethnic tribe in Vietnam | |
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學年 | 111 |
學期 | 2 |
出版(發表)日期 | 2023-05-17 |
作品名稱 | Screening and elucidation of chemical structures of novel mammalian α-glucosidase inhibitors targeting anti-diabetes drug from herbals used by E De ethnic tribe in Vietnam |
作品名稱(其他語言) | |
著者 | Nguyen VB, Wang SL, Phan TQ, Pham THT, Hung TH, Liaw CC, Nguyen AD |
單位 | |
出版者 | |
著錄名稱、卷期、頁數 | Pharmaceuticals 16(05), 756 |
摘要 | Among ten extracts of indigenous medicinal plants, the MeOH extract of Terminalia triptera Stapf. (TTS) showed the most efficient mammalian α-glucosidase inhibition for the first time. The data of screening bioactive parts used indicated that the TTS trunk bark and leaves extracts demonstrated comparable and higher effects compared to acarbose, a commercial anti-diabetic drug, with half-maximal inhibitory concentration (IC50) values of 181, 331, and 309 µg/mL, respectively. Further bioassay-guided purification led to the isolation of three active compounds from the TTS trunk bark extract and identified as (−)-epicatechin (1), eschweilenol C (2), and gallic acid (3). Of these, compounds 1 and 2 were determined as novel and potent mammalian α-glucosidase inhibitors. The virtual study indicated that these compounds bind to α-glucosidase (Q6P7A9) with acceptable RMSD values (1.16–1.56 Å) and good binding energy (DS values in the range of −11.4 to −12.8 kcal/mol) by interacting with various prominent amino acids to generate five and six linkages, respectively. The data of Lipinski’s rule of five and absorption, distribution, metabolism, excretion and toxicity (ADMET)-based pharmacokinetics and pharmacology revealed that these purified compounds possess anti-diabetic drug properties, and the compounds are almost not toxic for human use. Thus, the findings of this work suggested that (−)-epicatechin and esc |
關鍵字 | Medicinal plants;Terminalia triptera Stapf.;α-glucosidase inhibitors;(−)-epicatechin;eschweilenol C;Q6P7A9;E De Ethnic Tribe;virtual study |
語言 | en |
ISSN | 1424-8247 |
期刊性質 | 國外 |
收錄於 | SCI |
產學合作 | |
通訊作者 | San-Lang, Wang |
審稿制度 | 是 |
國別 | CHE |
公開徵稿 | |
出版型式 | ,電子版 |
相關連結 |
機構典藏連結 ( http://tkuir.lib.tku.edu.tw:8080/dspace/handle/987654321/124120 ) |