Synopsis
Conformational Design has played a key role in the medicinal chemistry of small molecule clinical candidates over the last 20 years. A key learning from multiple projects supported by experimental free ligand NMR solution conformations and protein-ligand X-ray structures is that the bioactive conformation of potent ligands is highly populated in solution. Ligand rigidification has been particularly successful in the design of selective and potent protein-protein interaction inhibitors and is becoming an increasingly important approach for PROTACs, molecular glues and other new modalities. This new RSC-BMCS event aims at building a community that shares conformational design strategies, technologies, and successful case studies. It will complement other rational drug design events and promote more successful research into future medicines.
Conformational Design has played a key role in the medicinal chemistry of small molecule clinical candidates over the last 20 years. A key learning from multiple projects supported by experimental free ligand NMR solution conformations and protein-ligand X-ray structures is that the bioactive conformation of potent ligands is highly populated in solution. Ligand rigidification has been particularly successful in the design of selective and potent protein-protein interaction inhibitors and is becoming an increasingly important approach for PROTACs, molecular glues and other new modalities. This new RSC-BMCS event aims at building a community that shares conformational design strategies, technologies, and successful case studies. It will complement other rational drug design events and promote more successful research into future medicines.
