التفاصيل البيبلوغرافية
| العنوان: |
DESIGN & MOLECULAR DOCKING STUDIES OF COUMARIN SUBSTITUTED 1, 3, 4-OXADIAZOLES AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS. |
| المؤلفون: |
Purohit S.S.*, Kulkarni V.H., Joshi S.D. |
| بيانات النشر: |
Zenodo |
| سنة النشر: |
2020 |
| المجموعة: |
Zenodo |
| مصطلحات موضوعية: |
GSK-3 Inhibitors, Coumarin Containing 1,3, 4-Oxadiazoles, Design & Molecular Docking |
| الوصف: |
Glycogen synthase kinase 3 (GSK-3) is a serine/threonine protein kinase that mediates the addition of phosphate molecules onto serine and threonine amino acid residues. First discovered in 1980 as a regulatory kinase for its namesake, Glycogen synthase , GSK-3 has since been identified as a kinase for over forty different proteins in a variety of different pathways. GSK-3 has recently been the subject of much research because it has been implicated in a number of diseases, including Type II diabetes ( Diabetes mellitus type 2 ), Alzheimer's Disease , inflammation , cancer , and bipolar disorder . A plethora of GSK-3 inhibitors has been described and most of the effects were observed in vitro and cellular studies. Present study is aimed at design of GSK-3 Inhibitors, their molecular docking studies using online molecular docking software, i.e. www. Dockingserver.com. Based upon previous studies on 1, 3, 4-oxadiazoles as GSK-3 inhibitors, 1, 3, 4-oxadiazole molecule skeleton was taken as the core skeleton & 4 different modifications were made. The compounds were docked with GSK (PDB ID: 3f88 and PDB ID: 4E7W).The results have shown appreciable molecular docking interactions with the GSK-3 protein amino acid residues. The Est. inhibition constant, Ki values for the ligands were observed in µM values. . It is observed that Ligand I has shown Est. free energy of binding -10.17 which is said to be better than the other 3 ligands & reference ligands. |
| نوع الوثيقة: |
article in journal/newspaper |
| اللغة: |
unknown |
| Relation: |
https://zenodo.org/communities/iajpr; https://doi.org/10.5281/zenodo.3864856; https://doi.org/10.5281/zenodo.3864857; oai:zenodo.org:3864857 |
| DOI: |
10.5281/zenodo.3864857 |
| الاتاحة: |
https://doi.org/10.5281/zenodo.3864857 |
| Rights: |
info:eu-repo/semantics/openAccess ; Creative Commons Attribution 4.0 International ; https://creativecommons.org/licenses/by/4.0/legalcode |
| رقم الانضمام: |
edsbas.402DCA4C |
| قاعدة البيانات: |
BASE |