| Title |
Molecular dynamics simulations and structure-based network analysis reveal structural and functional aspects of G-protein coupled receptor dimer interactions
|
|---|---|
| Published in |
Perspectives in Drug Discovery and Design, June 2016
|
| DOI | 10.1007/s10822-016-9919-y |
| Pubmed ID | |
| Authors |
Fotis A. Baltoumas, Margarita C. Theodoropoulou, Stavros J. Hamodrakas |
| Abstract |
A significant amount of experimental evidence suggests that G-protein coupled receptors (GPCRs) do not act exclusively as monomers but also form biologically relevant dimers and oligomers. However, the structural determinants, stoichiometry and functional importance of GPCR oligomerization remain topics of intense speculation. In this study we attempted to evaluate the nature and dynamics of GPCR oligomeric interactions. A representative set of GPCR homodimers were studied through Coarse-Grained Molecular Dynamics simulations, combined with interface analysis and concepts from network theory for the construction and analysis of dynamic structural networks. Our results highlight important structural determinants that seem to govern receptor dimer interactions. A conserved dynamic behavior was observed among different GPCRs, including receptors belonging in different GPCR classes. Specific GPCR regions were highlighted as the core of the interfaces. Finally, correlations of motion were observed between parts of the dimer interface and GPCR segments participating in ligand binding and receptor activation, suggesting the existence of mechanisms through which dimer formation may affect GPCR function. The results of this study can be used to drive experiments aimed at exploring GPCR oligomerization, as well as in the study of transmembrane protein-protein interactions in general. |
X Demographics
The data shown below were collected from the profiles of 4 X users who shared this research output. Click here to find out more about how the information was compiled.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| Turkey | 2 | 50% |
| Unknown | 2 | 50% |
Demographic breakdown
| Type | Count | As % |
|---|---|---|
| Members of the public | 3 | 75% |
| Scientists | 1 | 25% |
Mendeley readers
The data shown below were compiled from readership statistics for 79 Mendeley readers of this research output. Click here to see the associated Mendeley record.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| United Kingdom | 1 | 1% |
| United States | 1 | 1% |
| France | 1 | 1% |
| Unknown | 76 | 96% |
Demographic breakdown
| Readers by professional status | Count | As % |
|---|---|---|
| Student > Ph. D. Student | 20 | 25% |
| Researcher | 20 | 25% |
| Student > Master | 10 | 13% |
| Student > Bachelor | 5 | 6% |
| Professor | 5 | 6% |
| Other | 9 | 11% |
| Unknown | 10 | 13% |
| Readers by discipline | Count | As % |
|---|---|---|
| Biochemistry, Genetics and Molecular Biology | 25 | 32% |
| Chemistry | 19 | 24% |
| Agricultural and Biological Sciences | 13 | 16% |
| Pharmacology, Toxicology and Pharmaceutical Science | 3 | 4% |
| Computer Science | 3 | 4% |
| Other | 5 | 6% |
| Unknown | 11 | 14% |
Attention Score in Context
This research output has an Altmetric Attention Score of 3. This is our high-level measure of the quality and quantity of online attention that it has received. This Attention Score, as well as the ranking and number of research outputs shown below, was calculated when the research output was last mentioned on 19 February 2018.
All research outputs
#14,334,632
of 25,457,858 outputs
Outputs from Perspectives in Drug Discovery and Design
#661
of 949 outputs
Outputs of similar age
#186,967
of 367,856 outputs
Outputs of similar age from Perspectives in Drug Discovery and Design
#6
of 11 outputs
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