Biotinylated non-ionic amphipols for GPCR ligands screening

Screening for GPCR Ligands Using Surface Plasmon Resonance

G-protein coupled receptors (GPCRs) are a class of drug targets of primary importance. However, receptor assays are based on measurement of either ligand displacement or downstream functional responses, rather than direct observation of ligand binding. Issues of allosteric modulation, probe dependence, and functional selectivity create challenges in selecting suitable assays formats. Therefore,...

Function-specific virtual screening for GPCR ligands using a combined scoring method

The ability of scoring functions to correctly select and rank docking poses of small molecules in protein binding sites is highly target dependent, which presents a challenge for structure-based drug discovery. Here we describe a virtual screening method that combines an energy-based docking scoring function with a molecular interaction fingerprint (IFP) to identify new ligands based on G prote...

Structure - based virtual screening for GPCR ligands with a specific functional e ff ect Chapter 5

Functional assays for screening GPCR targets.

G-protein-coupled receptors (GPCRs) are valuable molecular targets for drug discovery. An important aspect of the early drug discovery process is the design and implementation of high-throughput GPCR functional assays that allow the cost-effective screening of large compound libraries to identify novel drug candidates. Several functional assay kits based on fluorescence and/or chemiluminescence...

Extracting Common Substructures of GPCR Ligands

G-protein coupled receptor (GPCR) proteins are transmembrane receptor proteins which sense outer signals and activate various signaling pathways inside the cell causing different cellular responses. They have a wide range of sensory functions including sensing light, olfaction, hormone reception and neurotransmission. They exist in every tissue of our body and play important roles in regulation...