CORDIS Project
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This project develops computational methods to identify allosteric binding sites on G protein-coupled receptors, which are key drug targets. By utilizing advanced simulations, it aims to facilitate the discovery of safer drugs that selectively modulate receptor activity, enhancing therapeutic options.
G protein coupled-receptors (GPCRs) are the most successful class of druggable targets in the human genome with an estimated 30 to 60 % of prescription drugs in European Union. GPCRs biological state can be modulated by small molecule ligands acting on spatially distinct allosteric binding sites (ABSs) that result more selective and less toxic than drugs binding to orthosteric sites.
The discovery of lead compounds targeting ABSs is challenging and to date has largely been achieved through cost-…
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