| Autor: |
Sahu, Kiran, Kumawat, Deepak, Goswami, Raksha, Singh, Gurdeep, Chhajed, Mahavir |
| Předmět: |
|
| Zdroj: |
International Journal of Pharmacy & Life Sciences; Jul2020, Vol. 11 Issue 7, p27-27, 1p |
| Abstrakt: |
In an effort to identify new antidiabetic agents Molecular docking studies and antihyperglycemic activity of potent and selective (5-imidazol-2-yl-4-phenylpyrimidin-2-yl)[2-(2-pyridylamino) ethyl] amine inhibitors of glycogen synthase kinase 3. A novel derivative of (5-imidazol-2-yl-4-phenylpyrimidin-2-yl)[2-(2-pyridylamino) ethyl] amine was selected from the literature for antihyperglycemic activity as glycogen synthase kinase 3 inhibitors. In-silico studies using molecular docking methodology. The all selected compounds were sketched and energy minimized using Chem Draw ultra and Chem 3D ultra respectively. Further, the compounds were docked into glycogen synthase kinase 3 inhibitor (3F7Z) using Molegro Virtual Docker Platform. One hundred thirty compounds were docked into the active site of glycogen kinase 3 inhibitor cavity and all of them found to have similar binding interactions of a co-crystallized ligand with2-(1,3-benzodioxol-5-yl)-5-[(3-fluoro-4-methoxybenzyl) sulfanyl]-1,3,4-oxadiazole. The binding interaction information derived from these molecules will be useful in future antidiabetic agent design. Conclusion: From the docking study, it was observed that ligands bind to the electrostatic, hydrophobic clamp formed by the residues Asp 76(B), Tyr 190(B), Tyr 80(B) and Lys 72(B) which play an important role for glycogen synthase kinase 3 inhibition. The binding affinity, grid calculation and RMSD percentage lower and upper parameters were calculated. Hence, the observable data indicated that, above compounds can serve as good leads for further modification and optimization in the of treatment of NIDDM. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
|
