G-Protein Coupled Receptors Virtual Screening Using Genetic Algorithm Focused Chemical Space

2011 ◽  
Vol 51 (8) ◽  
pp. 1754-1761 ◽  
Author(s):  
Carleton Sage ◽  
Runtong Wang ◽  
Gareth Jones
Keyword(s):  
Genetic Algorithm ◽  
Virtual Screening ◽  
G Protein ◽  
Chemical Space ◽  
G Protein Coupled Receptors ◽  
G Protein Coupled

scholarly journals Structure-Based Virtual Screening for Ligands of G Protein–Coupled Receptors: What Can Molecular Docking Do for You?

2021 ◽  
Vol 73 (4) ◽  
pp. 527-565
Author(s):  
Flavio Ballante ◽  
Albert J Kooistra ◽  
Stefanie Kampen ◽  
Chris de Graaf ◽  
Jens Carlsson
Keyword(s):  
Molecular Docking ◽  
Virtual Screening ◽  
G Protein ◽  
G Protein Coupled Receptors ◽  
G Protein Coupled

scholarly journals Beyond the Flavour: The Potential Druggability of Chemosensory G Protein-Coupled Receptors

2019 ◽  
Vol 20 (6) ◽  
pp. 1402 ◽  
Author(s):  
Antonella Di Pizio ◽  
Maik Behrens ◽  
Dietmar Krautwurst
Keyword(s):  
G Protein ◽  
Drug Targets ◽  
Current Knowledge ◽  
Chemical Space ◽  
G Protein Coupled Receptors ◽  
The Body ◽  
Odorant Receptors ◽  
Taste Receptors ◽  
Umami Taste ◽  
G Protein Coupled

G protein-coupled receptors (GPCRs) belong to the largest class of drug targets. Approximately half of the members of the human GPCR superfamily are chemosensory receptors, including odorant receptors (ORs), trace amine-associated receptors (TAARs), bitter taste receptors (TAS2Rs), sweet and umami taste receptors (TAS1Rs). Interestingly, these chemosensory GPCRs (csGPCRs) are expressed in several tissues of the body where they are supposed to play a role in biological functions other than chemosensation. Despite their abundance and physiological/pathological relevance, the druggability of csGPCRs has been suggested but not fully characterized. Here, we aim to explore the potential of targeting csGPCRs to treat diseases by reviewing the current knowledge of csGPCRs expressed throughout the body and by analysing the chemical space and the drug-likeness of flavour molecules.

scholarly journals Docking-based virtual screening for ligands of G protein-coupled receptors: Not only crystal structures but also in silico models

2011 ◽  
Vol 29 (5) ◽  
pp. 614-623 ◽  
Author(s):  
Santiago Vilar ◽  
Giulio Ferino ◽  
Sharangdhar S. Phatak ◽  
Barkin Berk ◽  
Claudio N. Cavasotto ◽  
...  
Keyword(s):  
Virtual Screening ◽  
Crystal Structures ◽  
G Protein ◽  
In Silico ◽  
G Protein Coupled Receptors ◽  
In Silico Models ◽  
G Protein Coupled
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