Structure prediction of G-protein coupled receptors for rational drug design
PharmSelex (fka: GPC-Rx) focuses on the structure prediction of G-protein coupled receptors (GPCRs) to develop new GPCR-targeting drugs with reduced toxicity and enhanced selectivity. GPCRs are cell surface receptors that transmit chemical messages across the cell membrane. GPCRs have a complex structure that spans the cellular membrane seven times and is therefore difficult to predict. Due to their mediation of numerous critical physiological functions, GPCRs are involved in major disease areas including cardiovascular, metabolic, neurodegenerative, psychiatric, cancer, and infectious diseases. To facilitate the development of GPCR-targeting drugs, PharmSelex aims to predict the structures of apo and ligand-bound GPCRs. The structure of GPCRs will permit rational design and optimization of drug candidates of many disease targets.
PharmSelex’s technology was developed in the laboratory of Dr. William Goddard Ph.D. at California Institute of Technology. The Goddard group has established and validated methods to generate 3D-structures of GPCRs and their complexes with known ligands.