Impact of Recently Determined Crystallographic Structures of GPCRs on Drug Discovery

Le résumé fourni par la source

G protein-coupled receptors (GPCRs) are the largest family of membrane proteins. GPCRs are involved in a wide variety of cellular functions, serving as key players in cellular signaling. To aid the visualization of key properties of the ligand binding sites, GRID maps are often calculated, with the “hot spots” used to drive design and better understand ligand binding. GRID provides a more enthalpic estimation of the probe–protein interaction, with some implicit entropic considerations, as the analysis is trained with crystallographic data representing a free energy minimum. The resolution of many GPCR X-ray structures using different GPCR engineering techniques in the last few years has revolutionized the GPCR drug discovery efforts of the pharmaceutical industry, enabling GPCR structure-based biotech companies such as Heptares to develop clinical candidates by efficient rational approaches.

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