scholarly journals Conformational Dynamics of Activation for the Pentameric Complex of Dimeric G Protein-Coupled Receptor and Heterotrimeric G Protein

Structure ◽  
2012 ◽  
Vol 20 (5) ◽  
pp. 826-840 ◽  
Author(s):  
Tivadar Orban ◽  
Beata Jastrzebska ◽  
Sayan Gupta ◽  
Benlian Wang ◽  
Masaru Miyagi ◽  
...  
Keyword(s):  
G Protein ◽  
Conformational Dynamics ◽  
G Protein Coupled Receptor ◽  
Heterotrimeric G Protein ◽  
G Protein Coupled

scholarly journals Heterotrimeric G Protein-independent Signaling of a G Protein-coupled Receptor

2005 ◽  
Vol 280 (36) ◽  
pp. 31898-31905 ◽  
Author(s):  
Ingrid Gsandtner ◽  
Christoforos Charalambous ◽  
Eduard Stefan ◽  
Egon Ogris ◽  
Michael Freissmuth ◽  
...  
Keyword(s):  
G Protein ◽  
G Protein Coupled Receptor ◽  
Heterotrimeric G Protein ◽  
G Protein Coupled

scholarly journals Conformational dynamics of a class C G-protein-coupled receptor

Nature ◽  
2015 ◽  
Vol 524 (7566) ◽  
pp. 497-501 ◽  
Author(s):  
Reza Vafabakhsh ◽  
Joshua Levitz ◽  
Ehud Y. Isacoff
Keyword(s):  
G Protein ◽  
Conformational Dynamics ◽  
G Protein Coupled Receptor ◽  
Class C ◽  
G Protein Coupled

scholarly journals Conformational Dynamics of a G Protein-Coupled Receptor at the Single-Molecule Level

2015 ◽  
Vol 108 (2) ◽  
pp. 350a
Author(s):  
Rajan Lamichhane ◽  
Jeffrey J. Liu ◽  
Raymond C. Stevens ◽  
David P. Millar
Keyword(s):  
G Protein ◽  
Single Molecule ◽  
Conformational Dynamics ◽  
G Protein Coupled Receptor ◽  
Single Molecule Level ◽  
G Protein Coupled

scholarly journals Recent Insights from Molecular Dynamics Simulations for G Protein-Coupled Receptor Drug Discovery

2019 ◽  
Vol 20 (17) ◽  
pp. 4237 ◽  
Author(s):  
Zou ◽  
Ewalt ◽  
Ng
Keyword(s):  
Molecular Dynamics ◽  
Drug Discovery ◽  
G Protein ◽  
Drug Targets ◽  
Conformational Dynamics ◽  
Md Simulations ◽  
Data Bank ◽  
G Protein Coupled Receptor ◽  
Biased Signaling ◽  
G Protein Coupled

G protein-coupled receptors (GPCRs) are critical drug targets. GPCRs convey signals from the extracellular to the intracellular environment through G proteins. Some ligands that bind to GPCRs activate different downstream signaling pathways. G protein activation, or -arrestin biased signaling, involves ligands binding to receptors and stabilizing conformations that trigger a specific pathway. -arrestin biased signaling has become a hot target for structure-based drug discovery. However, challenges include that there are few crystal structures available in the Protein Data Bank and that GPCRs are highly dynamic. Hence, molecular dynamics (MD) simulations are especially valuable for obtaining detailed mechanistic information, including identification of allosteric sites and understanding modulators’ interactions with receptors and ligands. Here, we highlight recent MD simulation studies and enhanced sampling methods used to study biased G protein-coupled receptor signaling and their conformational dynamics as well as applications to drug discovery.

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