Drugging specific conformational states of GPCRs: challenges and opportunities for computational chemistry
| Autor: | Jana Selent, Denis Schmidt, Maria Marti-Solano, Peter Kolb |
|---|---|
| Rok vydání: | 2016 |
| Předmět: |
0301 basic medicine
Pharmacology Protein Conformation Nanotechnology Context (language use) Computational biology Molecular Dynamics Simulation Biology Receptors G-Protein-Coupled 03 medical and health sciences 030104 developmental biology 0302 clinical medicine Drug development Structural biology Drug Design Drug Discovery 030217 neurology & neurosurgery G protein-coupled receptor |
| Zdroj: | Drug Discovery Today. 21:625-631 |
| ISSN: | 1359-6446 |
| DOI: | 10.1016/j.drudis.2016.01.009 |
| Popis: | Current advances in structural biology for membrane proteins support the existence of multiple Gprotein-coupled receptor (GPCR) conformations. These conformations can be associated to particular receptor states with definite coupling and signaling capacities. Drugging such receptor states represents an opportunity to discover a new generation of GPCR drugs with unprecedented specificity. However, exploiting recently available structural information to develop these drugs is still challenging. In this context, computational structure-based approaches can inform such drug development. In this review, we examine the potential of these approaches and the challenges they will need to overcome to guide the rational discovery of drugs targeting specific GPCR states. |
| Databáze: | OpenAIRE |
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