Abstract
GSK-3 inhibitors are interesting candidates to develop anti-Alzheimer compounds. GSK-3β are also interesting as antiparasitic compounds active against Plasmodium falciparum, Trypanosoma brucei, and Leishmania donovani; the causative agents for Malaria, African Trypanosomiasis and Leishmaniosis. The high number of possible candidates creates the necessity of Quantitative Structure-Activity Relationship models in order to guide the GSK3 (Glycogen Synthase Kinase 3 inhibitor) synthesis. In this work, we revised different computational studies for a very large and heterogeneous series of GSK-3Is. First, we revised QSAR studies with conceptual parameters such as flexibility of rotation, probability of availability, etc. We then used the method of regression analysis and QSAR studies in order to understand the essential structural requirement for binding with receptor. Next, we reviewed 3D-QSAR, CoMFA and CoMSIA with different compounds to find out the structural requirements for GSK-3 inhibitory activity.
Keywords: QSAR, Alzheimer, SAR, parasitic, fungi, anti-Alzheimer compounds, GSK-3, Neurofibrillary tangles (NFTs), Docking, Thiadiazolidinone Derivatives, QSAR Modeling, Indirubin Analogues, Bisarylmaleimides, CDK-2, CDK-4, Image-Based Approach, Indirubin Derivatives, Multi-Target QSAR
Current Pharmaceutical Design
Title: QSAR, Docking, and CoMFA Studies of GSK3 Inhibitors
Volume: 16 Issue: 24
Author(s): Isela Garcia, Yagamare Fall and Generosa Gomez
Affiliation:
Keywords: QSAR, Alzheimer, SAR, parasitic, fungi, anti-Alzheimer compounds, GSK-3, Neurofibrillary tangles (NFTs), Docking, Thiadiazolidinone Derivatives, QSAR Modeling, Indirubin Analogues, Bisarylmaleimides, CDK-2, CDK-4, Image-Based Approach, Indirubin Derivatives, Multi-Target QSAR
Abstract: GSK-3 inhibitors are interesting candidates to develop anti-Alzheimer compounds. GSK-3β are also interesting as antiparasitic compounds active against Plasmodium falciparum, Trypanosoma brucei, and Leishmania donovani; the causative agents for Malaria, African Trypanosomiasis and Leishmaniosis. The high number of possible candidates creates the necessity of Quantitative Structure-Activity Relationship models in order to guide the GSK3 (Glycogen Synthase Kinase 3 inhibitor) synthesis. In this work, we revised different computational studies for a very large and heterogeneous series of GSK-3Is. First, we revised QSAR studies with conceptual parameters such as flexibility of rotation, probability of availability, etc. We then used the method of regression analysis and QSAR studies in order to understand the essential structural requirement for binding with receptor. Next, we reviewed 3D-QSAR, CoMFA and CoMSIA with different compounds to find out the structural requirements for GSK-3 inhibitory activity.
Export Options
About this article
Cite this article as:
Garcia Isela, Fall Yagamare and Gomez Generosa, QSAR, Docking, and CoMFA Studies of GSK3 Inhibitors, Current Pharmaceutical Design 2010; 16 (24) . https://dx.doi.org/10.2174/138161210792389225
DOI https://dx.doi.org/10.2174/138161210792389225 |
Print ISSN 1381-6128 |
Publisher Name Bentham Science Publisher |
Online ISSN 1873-4286 |
- 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
- Announcements
Related Articles
-
Sensory-Motor Integration in the Medial Medulla
Current Neuropharmacology Current Options and Future Possibilities for the Treatment of Dyskinesia and Motor Fluctuations in Parkinson's Disease
CNS & Neurological Disorders - Drug Targets Role of Insulin Signaling in the Interaction Between Alzheimer Disease and Diabetes Mellitus: A Missing Link to Therapeutic Potential
Current Aging Science Comparison of Changes in Cognitive Functions of Post-stroke Patients with the Computer-based Cognitive Intervention (PABLO System) and Conventional Cognitive Intervention (Paper-pencil Method)
Current Psychiatry Research and Reviews The Ubiquitin Proteasome System as a Potential Target for the Treatment of Neurodegenerative Diseases
Current Pharmaceutical Design Proteasome Inhibition: A Promising Strategy for Treating Cancer, but What About Neurotoxicity?
Current Medicinal Chemistry Vascular Contribution to Alzheimer Disease: Predictors of Rapid Progression
CNS & Neurological Disorders - Drug Targets New Classes of AChE Inhibitors with Additional Pharmacological Effects of Interest for the Treatment of Alzheimers Disease
Current Pharmaceutical Design Molecular Interaction of Human Brain Acetylcholinesterase with a Natural Inhibitor Huperzine-B: An Enzoinformatics Approach
CNS & Neurological Disorders - Drug Targets <i>Crocus Sativus</i> L. (Saffron) in Alzheimer’s Disease Treatment: Bioactive Effects on Cognitive Impairment
Current Neuropharmacology Cell Life Versus Cell Longevity: The Mysteries Surrounding the NAD+ Precursor Nicotinamide
Current Medicinal Chemistry Fluorescent Imaging of Amyloid-β Deposits in Brain: An Overview of Probe Development and a Highlight of the Applications for In Vivo Imaging
Current Medicinal Chemistry Platelets and Platelet-Derived Microvesicles as Immune Effectors in Type 2 Diabetes
Current Vascular Pharmacology Endothelins and the Role of Endothelin Antagonists in the Management of Posttraumatic Vasospasm
Current Pharmaceutical Design Pathophysiological Roles of Renin-Angiotensin System on Erythropoietic Action
Current Hypertension Reviews Alzheimer's disease: Targeting the Cholinergic System
Current Neuropharmacology COVID-19, the Brain, and the Future: Is Infection by the Novel Coronavirus a Harbinger of Neurodegeneration?
CNS & Neurological Disorders - Drug Targets Numeric, Agent-based or System Dynamics Model? Which Modeling Approach is the Best for Vast Population Simulation?
Current Alzheimer Research An Overview of Innovations in Analysis and Beneficial Health Effects of Wine Polyphenols
Mini-Reviews in Medicinal Chemistry Systematic Review of Public Education and Policy for Stroke Prevention
Current Drug Targets