In vitro α-Glucosidase Inhibition by Non-sugar based Triazoles of Dibenzoazepine, their Structure-Activity Relationship, and Molecular Docking
| Autor: | Farhana Batool, Maria Aqeel Khan, Abdul Wadood, Fatima Z. Basha, Kulsoom Javaid, Alam Jamal, Saba Fazal-Ur-Rehman, Muhammad Iqbal Choudhary |
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| Rok vydání: | 2017 |
| Předmět: |
0301 basic medicine
030103 biophysics Saccharomyces cerevisiae Pharmacology 03 medical and health sciences Structure-Activity Relationship Dibenzazepines Diabetes mellitus Catalytic Domain Drug Discovery medicine Structure–activity relationship Glycoside Hydrolase Inhibitors IC50 Acarbose chemistry.chemical_classification biology Active site alpha-Glucosidases Triazoles medicine.disease In vitro Molecular Docking Simulation Postprandial Enzyme Biochemistry chemistry biology.protein medicine.drug |
| Zdroj: | Medicinal chemistry (Shariqah (United Arab Emirates)). 13(7) |
| ISSN: | 1875-6638 |
| Popis: | Background α-Glucosidase inhibitors (AGIs) have been reported for their clinical potential against postprandial hyperglycemia, which is responsible for the risks associated with diabetes mellitus 2 and cardiovascular diseases (CVDs). Besides, a number of compounds have been reported as potent AGIs, several side effects are associated with them. Methods The aim of present work is to explore new and potent molecules as AGIs. Therefore, a library of dibenzoazepine linked triazoles (1-15) was studied for their in vitro α-glucosidase inhibitory activity. The binding modes of potent compounds in the active site of α-glucosidase enzyme were also explored through molecular docking studies. Results and conclusion Among the reported triazoles, compounds 3-9, 11, and 13 (IC50 = 6.0 ± 0.03 to 19.8 ± 0.28 µM) were found to be several fold more active than the standard drug acarbose (IC50 = 840 ± 1.73 µM). Compound 5 (IC50 = 6.0 ± 0.03 µM) was the most potent AGIs in the series, about 77- fold more active than acarbose. Therefore, dibenzoazepine linked-triazoles described here can serve as leads for further studies as new non-sugar AGIs. |
| Databáze: | OpenAIRE |
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