Special Issue "GPCR Mechanism and Drug Design"
Deadline for manuscript submissions: 31 March 2019
Dr. Irina S. Moreira
CNC—Center for Neuroscience and Cell Biology; Rua Larga, Faculdade de Medicina, Polo I, 1ºandar, Universidade de Coimbra, 3004-504 Coimbra, Portugal
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Interests: data science; drug design and discovery; computational chemistry; structural biology; molecular modeling; molecular docking; computational mutagenesis; G-protein-coupled receptors; protein–protein interactions; protein–ligand interactions
Given the central role of G-Protein-Coupled receptors (GPCRs) in an enormous variety of cellular mechanisms in normal physiology and disease, it is not surprising that they are the subject of major mechanistic efforts toward understanding their function and signaling selectivity. New insights have been provided by the recent structures of GPCRs in selected “states” stabilized by a variety of ligands with pharmacologically distinct properties (agonists, inverse agonists, etc.), by nanobodies mimicking signal transducers, by full heterotrimeric G-proteins (GTP-binding protein) and by Arrestin proteins. However, the molecular mechanisms connecting the GPCR structures to these states, and these states to elements of functional mechanisms, are not yet resolved, nor are they likely to be resolved solely from inspection of static crystal structures. This Special Issue aims at addressing this important knowledge gap and collect new reports and insights from computational and experimental researchers on specific problems of great significance in GPCR signaling. The fundamental concept of “functional selectivity” or “ligand bias”, e.g., the molecular mechanisms for selectivity for different pathways and the design of new drugs targeting these pathways, is of enormous interest in molecular pharmacology, cell physiology, and drug development. Contributions to this issue, both in the form of original research or review articles, may cover all aspects of GPCR mechanism and drug design and multidisciplinary studies are particularly welcome.Dr. Irina S. Moreira
Manuscript Submission Information
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- G-Protein-Coupled receptors (GPCRs)
- Molecular Mechanism
- Functional Selectivity/Ligand Bias
- Drug Design and Discovery
- G-protein Coupling
- Arrestin Coupling
- In silico approaches in the study of GPCRs
- Biochemical and Biophysical approaches in the study of GPCRs
- Big Data in GPCR function/structure