Abstract
AMP-activated protein kinase (AMPK) is an important therapeutic target for the potential treatment of metabolic disorders, cardiovascular disease and cancer. Recently, various classes of compounds that activate AMPK by direct or indirect interactions have been reported. The importance of computer-aided drug design approaches in the search for potent activators of AMPK is now established, including structure-based design, ligand-based design, fragment-based design, as well as structural analysis. This review article highlights the computer-aided drug design approaches utilized to discover of activators targeting AMPK. The principles, advantages or limitation of the different methods are also being discussed together with examples of applications taken from the literatures.
Keywords: AMP-activated protein kinase, activator, structure-based drug design, ligand-based drug design, fragment-based, drug design, structural analysis, fragment-based drug design, QSAR, pharmacophore modellng, molecular docking, virtual screening
Current Computer-Aided Drug Design
Title: Computer-Aided Drug Design for AMP-Activated Protein Kinase Activators
Volume: 7 Issue: 3
Author(s): Zhanli Wang, Jianxin Huo, Lidan Sun, Yongfu Wang, Hongwei Jin, Hui Yu, Liangren Zhang and Lishe Zhou
Affiliation:
Keywords: AMP-activated protein kinase, activator, structure-based drug design, ligand-based drug design, fragment-based, drug design, structural analysis, fragment-based drug design, QSAR, pharmacophore modellng, molecular docking, virtual screening
Abstract: AMP-activated protein kinase (AMPK) is an important therapeutic target for the potential treatment of metabolic disorders, cardiovascular disease and cancer. Recently, various classes of compounds that activate AMPK by direct or indirect interactions have been reported. The importance of computer-aided drug design approaches in the search for potent activators of AMPK is now established, including structure-based design, ligand-based design, fragment-based design, as well as structural analysis. This review article highlights the computer-aided drug design approaches utilized to discover of activators targeting AMPK. The principles, advantages or limitation of the different methods are also being discussed together with examples of applications taken from the literatures.
Export Options
About this article
Cite this article as:
Wang Zhanli, Huo Jianxin, Sun Lidan, Wang Yongfu, Jin Hongwei, Yu Hui, Zhang Liangren and Zhou Lishe, Computer-Aided Drug Design for AMP-Activated Protein Kinase Activators, Current Computer-Aided Drug Design 2011; 7 (3) . https://dx.doi.org/10.2174/157340911796504323
DOI https://dx.doi.org/10.2174/157340911796504323 |
Print ISSN 1573-4099 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-6697 |
- 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
-
Carotenoids and Cardiovascular Risk
Current Pharmaceutical Design Developments in Non-Surgical Therapies for Abdominal Aortic Aneurysm
Current Vascular Pharmacology Potential of Flavonoids as Anti-inflammatory Agents: Modulation of Pro- Inflammatory Gene Expression and Signal Transduction Pathways
Current Drug Metabolism Neopterin as a Marker for Immune System Activation
Current Drug Metabolism G Protein-Coupled Receptors in Regulation of Body Weight
CNS & Neurological Disorders - Drug Targets Processed Foods, Dysbiosis, Systemic Inflammation, and Poor Health
Current Nutrition & Food Science Diabetes in Racial and Ethnic Minorities in the United States: Individualizing Approaches to Diagnosis and Management
Current Diabetes Reviews The Proteasome in Health and Disease
Current Pharmaceutical Design Methoxy Polyethylene Glycol-Epoetin Beta as a Novel Erythropoiesis Stimulating Agent with Possible Nephroprotective and Cardiovascular Protective Effects in Non-Dialysis Chronic Kidney Disease Patients
Current Pharmaceutical Biotechnology Editorial (Thematic Issue: The Changing Face of Metabolic Syndrome and its Components in the Light of Current Knowledge)
Current Vascular Pharmacology Diagnosis and Prognosis of Fetal Cardiomyopathies: A Review
Current Pharmaceutical Design Calcium Ions in Inherited Cardiomyopathies
Medicinal Chemistry Coronary Artery Disease and End-Stage Renal Disease - A Clinical Perspective
Current Hypertension Reviews Commercially Available, FDA-approved Epigenetic Modifiers As Therapeutic Agents in Bacterial Infection
Clinical Anti-Inflammatory & Anti-Allergy Drugs (Discontinued) Histone Deacetylase Inhibition Attenuates Cardiomyocyte Hypoxia-Reoxygenation Injury
Current Molecular Medicine Pharmacotherapy in Neonatal and Pediatric Extracorporeal Membrane Oxygenation (ECMO)
Current Drug Metabolism Filling the Gaps between the In Vivo and In Vitro Microenvironment: Engineering of Spheroids for Stem Cell Technology
Current Stem Cell Research & Therapy Synthesis and Biological Evaluation of N-(Alkyl)-2-Thiophen-2-Ylacetamides Series As A New Class of Antitubercular Agents
Letters in Drug Design & Discovery Dietary Regulation of Glucose Metabolism in Metabolic Syndrome
Current Vascular Pharmacology Sleep Related Disorders in the Elderly: An Overview
Current Respiratory Medicine Reviews