Abstract
Growing experimental evidences suggest that dimerization and oligomerization are important for G Protein- Coupled Receptors (GPCRs) function. The detailed structural information of dimeric/oligomeric GPCRs would be very important to understand their function. Although it is encouraging that recently several experimental GPCR structures in oligomeric forms have appeared, experimental determination of GPCR structures in oligomeric forms is still a big challenge, especially in mimicking the membrane environment. Therefore, development of computational approaches to predict dimerization of GPCRs will be highly valuable. In this review, we summarize computational approaches that have been developed and used for modeling of GPCR dimerization. In addition, we introduce a novel two-dimensional Brownian Dynamics based protein docking approach, which we have recently adapted, for GPCR dimer prediction.
Keywords: Brownian dynamics simulations, coarse grained MD simulations, computer modeling, molecular dynamics simulations, membrane protein dimerization, protein docking.
Current Pharmaceutical Biotechnology
Title:Computational Approaches for Modeling GPCR Dimerization
Volume: 15 Issue: 10
Author(s): Xuan-Yu Meng, Mihaly Mezei and Meng Cui
Affiliation:
Keywords: Brownian dynamics simulations, coarse grained MD simulations, computer modeling, molecular dynamics simulations, membrane protein dimerization, protein docking.
Abstract: Growing experimental evidences suggest that dimerization and oligomerization are important for G Protein- Coupled Receptors (GPCRs) function. The detailed structural information of dimeric/oligomeric GPCRs would be very important to understand their function. Although it is encouraging that recently several experimental GPCR structures in oligomeric forms have appeared, experimental determination of GPCR structures in oligomeric forms is still a big challenge, especially in mimicking the membrane environment. Therefore, development of computational approaches to predict dimerization of GPCRs will be highly valuable. In this review, we summarize computational approaches that have been developed and used for modeling of GPCR dimerization. In addition, we introduce a novel two-dimensional Brownian Dynamics based protein docking approach, which we have recently adapted, for GPCR dimer prediction.
Export Options
About this article
Cite this article as:
Meng Xuan-Yu, Mezei Mihaly and Cui Meng, Computational Approaches for Modeling GPCR Dimerization, Current Pharmaceutical Biotechnology 2014; 15 (10) . https://dx.doi.org/10.2174/1389201015666141013102515
DOI https://dx.doi.org/10.2174/1389201015666141013102515 |
Print ISSN 1389-2010 |
Publisher Name Bentham Science Publisher |
Online ISSN 1873-4316 |
- 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
-
The Design of Vectors for RNAi Delivery System
Current Pharmaceutical Design Thiazolidinediones and Type 2 Diabetes: From Cellular Targets to Cardiovascular Benefit
Current Drug Targets Alcohol Septal Ablation for Hypertrophic Obstructive Cardiomyopathy
Current Cardiology Reviews Histone Deacetylase Inhibitors: Recent Insights from Basic to Clinical Knowledge & Patenting of Anti-Cancer Actions
Recent Patents on Anti-Cancer Drug Discovery Recent Advancements in Carbon Nanofiber and Carbon Nanotube Applications in Drug Delivery and Tissue Engineering
Current Pharmaceutical Design Ivabradine: Cardiovascular Effects
Recent Patents on Cardiovascular Drug Discovery Pomegranate as a Possible Treatment in Reducing Risk of Developing Wound Healing, Obesity, Neurodegenerative Disorders, and Diabetes Mellitus
Mini-Reviews in Medicinal Chemistry STABIL-study: The Course of Therapy, Safety and Pharmacokinetic Parameters of Conversion of Prograf® to Tacrolimus HEXAL®/Crilomus® in Renal Transplant Recipients – an Observational Study in Germany
Current Reviews in Clinical and Experimental Pharmacology Staged Starnes Operation Preserving Patent Ductus Arteriosus for Neonates with Ebsteins Anomaly and Pulmonary Atresia
Current Cardiology Reviews Interaction Between KATP-Channels and Protein Kinase C in the Regulation of Basal Coronary Flow
Vascular Disease Prevention (Discontinued) Techniques to Investigate Neuronal Mitochondrial Function and its Pharmacological Modulation
Current Drug Targets New Trends in Biological Activities and Clinical Studies of Quinolinic Analogues: A Review
Current Drug Targets Vasopressin in Health and Disease with a Focus on Affective Disorders
Central Nervous System Agents in Medicinal Chemistry Chemical Intolerance
Current Rheumatology Reviews Bioactive Coatings for Minimally Invasive Medical Devices: Surface Modification in the Service of Medicine
Recent Patents on Biomedical Engineering (Discontinued) Angiogenic Growth Factors in the Treatment of Peripheral Arterial Disease
Current Vascular Pharmacology Current Application of Cyclosporine A to Investigate Skeletal Muscle Adaptation
Current Enzyme Inhibition Chronic Effects of Cocaine on Dopaminergic and Serotonergic Systems of Rats
Current Molecular Imaging (Discontinued) The Role for Adjunctive Image in Pre-procedural Assessment and Peri-Procedural Management in Chronic Total Occlusion Recanalisation
Current Cardiology Reviews Mediterranean Diet and Low-grade Subclinical Inflammation: The Moli-sani Study
Endocrine, Metabolic & Immune Disorders - Drug Targets