Journal article Open Access

DESIGN & MOLECULAR DOCKING STUDIES OF COUMARIN SUBSTITUTED 1, 3, 4-OXADIAZOLES AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS.

Purohit S.S.*, Kulkarni V.H., Joshi S.D.


Dublin Core Export

<?xml version='1.0' encoding='utf-8'?>
<oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
  <dc:creator>Purohit S.S.*, Kulkarni V.H., Joshi S.D.</dc:creator>
  <dc:date>2020-05-29</dc:date>
  <dc:description>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 &amp; 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 &amp; reference ligands.</dc:description>
  <dc:identifier>https://zenodo.org/record/3864857</dc:identifier>
  <dc:identifier>10.5281/zenodo.3864857</dc:identifier>
  <dc:identifier>oai:zenodo.org:3864857</dc:identifier>
  <dc:relation>doi:10.5281/zenodo.3864856</dc:relation>
  <dc:relation>url:https://zenodo.org/communities/iajpr</dc:relation>
  <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
  <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
  <dc:subject>GSK-3 Inhibitors, Coumarin Containing 1,3, 4-Oxadiazoles, Design &amp; Molecular Docking.</dc:subject>
  <dc:title>DESIGN &amp; MOLECULAR DOCKING STUDIES OF COUMARIN SUBSTITUTED 1, 3, 4-OXADIAZOLES AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS.</dc:title>
  <dc:type>info:eu-repo/semantics/article</dc:type>
  <dc:type>publication-article</dc:type>
</oai_dc:dc>
50
24
views
downloads
All versions This version
Views 5050
Downloads 2424
Data volume 38.1 MB38.1 MB
Unique views 4141
Unique downloads 2222

Share

Cite as