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    Please use this identifier to cite or link to this item: https://tkuir.lib.tku.edu.tw/dspace/handle/987654321/124120


    Title: 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 Vietnamam
    Authors: Nguyen VB;Wang SL;Phan TQ;Pham THT;Hung TH;Liaw CC;Nguyen AD
    Keywords: Medicinal plants;Terminalia triptera Stapf.;α-glucosidase inhibitors;(−)-epicatechin;eschweilenol C;Q6P7A9;E De Ethnic Tribe;virtual study
    Date: 2023-05-17
    Issue Date: 2023-05-19 12:07:24 (UTC+8)
    Publisher: MDPI AG
    Abstract: 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
    Relation: Pharmaceuticals 16, 756
    DOI: 10.3390/ph16050756
    Appears in Collections:[化學學系暨研究所] 期刊論文

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