Chapter title |
Computer-Aided Design of GPCR Ligands.
|
---|---|
Chapter number | 19 |
Book title |
G Protein-Coupled Receptor Screening Assays
|
Published in |
Methods in molecular biology, December 2014
|
DOI | 10.1007/978-1-4939-2336-6_19 |
Pubmed ID | |
Book ISBNs |
978-1-4939-2335-9, 978-1-4939-2336-6
|
Authors |
Hugo Gutiérrez-de-Terán, Henrik Keränen, Jhonny Azuaje, David Rodríguez, Johan Åqvist, Eddy Sotelo, Gutiérrez-de-Terán H, Keränen H, Azuaje J, Rodríguez D, Åqvist J, Sotelo E, Gutiérrez-de-Terán, Hugo, Keränen, Henrik, Azuaje, Jhonny, Rodríguez, David, Åqvist, Johan, Sotelo, Eddy |
Editors |
Martins, Sofia Aires M., Prazeres, Duarte Miguel F. |
Abstract |
The recent availability of several GPCR crystal structures now contributes decisively to the perspective of structure-based ligand design. In this context, computational approaches are extremely helpful, particularly if properly integrated in drug design projects with cooperation between computational and medicinal chemistry teams. Here, we present the pipelines used in one such project, devoted to the design of novel potent and selective antagonists for the different adenosine receptors. The details of the computational strategies are described, and particular attention is given to explain how these procedures can effectively guide the synthesis of novel chemical entities. |
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Researcher | 7 | 47% |
Professor | 2 | 13% |
Student > Master | 2 | 13% |
Student > Doctoral Student | 1 | 7% |
Student > Ph. D. Student | 1 | 7% |
Other | 0 | 0% |
Unknown | 2 | 13% |
Readers by discipline | Count | As % |
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Pharmacology, Toxicology and Pharmaceutical Science | 2 | 13% |
Medicine and Dentistry | 1 | 7% |
Other | 1 | 7% |
Unknown | 2 | 13% |