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.
Keywords: QSAR Theory, Glycogen Synthase Kinase-3, Phosphorylation, CoMFA/CoMSIA, Partial Least Squares, Multivariable Linear Regression, Artificial Neural Network
Medicinal Chemistry
Title: QSAR Studies for the Pharmacological Inhibition of Glycogen Synthase Kinase-3
Volume: 3 Issue: 4
Author(s): Pablo R. Duchowicz and Eduardo A. Castro
Affiliation:
Keywords: QSAR Theory, Glycogen Synthase Kinase-3, Phosphorylation, CoMFA/CoMSIA, Partial Least Squares, Multivariable Linear Regression, Artificial Neural Network
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.
Export Options
About this article
Cite this article as:
Pablo R. Duchowicz and Eduardo A. Castro , QSAR Studies for the Pharmacological Inhibition of Glycogen Synthase Kinase-3, Medicinal Chemistry 2007; 3 (4) . https://dx.doi.org/10.2174/157340607781024375
DOI https://dx.doi.org/10.2174/157340607781024375 |
Print ISSN 1573-4064 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-6638 |
Call for Papers in Thematic Issues
Carbohydrates in Computational and Medicinal Chemistry
Carbohydrates are the most essential organic molecules and are involved in the maintenance of various physiological and metabolic processes in living organisms. Carbohydrate-based compounds have come to the attention of researchers because of their significant contributions to biological functions, such as cell development and cell proliferation, connections between several cells, ...read more
Recent Advances in the Medicinal Chemistry of Cancer
Scope of the Thematic Issue: Correlation between structure and function is one of the important aspects of the success of anti-cancer compounds associated with their structure-activity interactions, physiology, biochemical, molecular, and genetic processes. Overcoming these obstacles is key to obtaining further insights into developments in rational drug design, bioorganic chemistry, ...read more
- Author Guidelines
- Graphical Abstracts
- Fabricating and Stating False Information
- Research Misconduct
- Post Publication Discussions and Corrections
- Publishing Ethics and Rectitude
- Increase Visibility of Your Article
- Archiving Policies
- Peer Review Workflow
- Order Your Article Before Print
- Promote Your Article
- Manuscript Transfer Facility
- Editorial Policies
- Allegations from Whistleblowers
Related Articles
-
Syntheses, Transformations and Pharmaceutical Applications of Kynurenic Acid Derivatives
Current Medicinal Chemistry Cardiac Monitoring in Patients with Syncope: Making that Elusive Diagnosis
Current Cardiology Reviews Role of Nicotinic and Muscarinic Receptors on Synaptic Plasticity and Neurological Diseases
Current Pharmaceutical Design The Roles of Metabotropic Glutamate Receptors in Seizures and Epilepsy
Current Drug Targets - CNS & Neurological Disorders Mitochondrial Respiratory Complex I: Structure, Function and Implication in Human Diseases
Current Medicinal Chemistry Endocannabinoid System in Neurological Disorders
Recent Patents on CNS Drug Discovery (Discontinued) Levetiracetam might act as an efficacious drug to attenuate cognitive deficits of Alzheimer’s disease
Current Topics in Medicinal Chemistry O-Arylation of Iodophenols with 2-Fluorobenzaldehyde Under Microwave Conditions
Letters in Drug Design & Discovery The Progress of Epilepsy after Stroke
Current Neuropharmacology Superior Neuroprotective Effects of Cerebrolysin in Nanoparticle-Induced Exacerbation of Hyperthermia-Induced Brain Pathology
CNS & Neurological Disorders - Drug Targets On the Involvement of H2S in Nitroso Signaling and Other Mechanisms of H2S Action
Current Pharmaceutical Biotechnology Molecular Recognisation of 3a, 4-Dihydro-3-H-Indeno [1, 2-C] Pyrazole-2- Carboxamide/Carbothioamide Anticonvulsant Analogues Towards GABA-Aminotransferase- An in Silico Approach
Central Nervous System Agents in Medicinal Chemistry Augmentation of Citalopram with Aspirin for Treating Major Depressive Disorder, a Double Blind Randomized Placebo Controlled Clinical Trial
Anti-Inflammatory & Anti-Allergy Agents in Medicinal Chemistry Neuroprotective Strategies for Neurological Disorders by Natural Products: An update
Current Neuropharmacology Structural Chromosome Abnormalities Associated with Obesity: Report of Four New Subjects and Review of Literature
Current Genomics Multiscale Modelling of Relationships between Protein Classes and Drug Behavior Across all Diseases Using the CANDO Platform
Mini-Reviews in Medicinal Chemistry Thymoquinone: Major Molecular Targets, Prominent Pharmacological Actions and Drug Delivery Concerns
Current Bioactive Compounds Phytochemicals as Prototypes for Pharmaceutical Leads Towards Drug Development Against Diabetic Cardiomyopathy
Current Pharmaceutical Design Feature Extraction, Risky Classifications and Fault Diagnosis on Rolling Bearings of EEG Signals Denoised using Stationary Wavelet Transform of Patient Monitoring and IoT
Current Medical Imaging Curcumin Reduces Neuronal Loss and Inhibits the NLRP3 Inflammasome Activation in an Epileptic Rat Model
Current Neurovascular Research