QSAR studies for the pharmacological inhibition of glycogen synthase kinase-3

Pablo R Duchowicz; Eduardo A Castro

doi:10.2174/157340607781024375

QSAR studies for the pharmacological inhibition of glycogen synthase kinase-3

Med Chem. 2007 Jul;3(4):393-417. doi: 10.2174/157340607781024375.

Authors

Pablo R Duchowicz¹, Eduardo A Castro

Affiliation

¹ Research Institute of Theoretical and Applied Physical Chemistry (INIFTA), Chemistry Department, La Plata National University, Suc.4, C.C. 16, La Plata 1900, Buenos Aires, Argentina. prduchowicz@yahoo.com.ar

PMID: 17627578
DOI: 10.2174/157340607781024375

Abstract

The enzyme GSK-3 plays a central role in cells during the phosphorylation of various key regulatory proteins, and consequently pharmacological inhibitors of this enzyme potentially allow the treatment of diseases that include neurodegenerative and bipolar affective disorders, diabetes, and diseases caused by unicellular parasites. Today there is a huge number of reported empirical structure-activity relationships (SAR) that may guide a rational design of more potent and selective inhibitors. However, only a few studies based on Quantitative Structure-Activity Relationships (QSAR) are available for predicting the inhibitor potency against this specific kinase, and they involve mainly molecular modeling and 3D-QSAR. The present review deals with the recent search for a quantitative analysis of GSK-3 inhibition.

Publication types

Research Support, Non-U.S. Gov't
Review

MeSH terms

Animals
Disease
Glycogen Synthase Kinase 3 / antagonists & inhibitors*
Glycogen Synthase Kinase 3 / metabolism*
Humans
Inhibitory Concentration 50
Models, Biological
Protein Kinase Inhibitors / chemistry*
Protein Kinase Inhibitors / pharmacology*
Quantitative Structure-Activity Relationship*

Substances

Protein Kinase Inhibitors
Glycogen Synthase Kinase 3