Abstract:
GPCR(G-protein coupled receptors) superfamily is one of the most important drug targets in human body. Comprehensive GPCR ligands pharmacophore modelings studies were performed and global pharmacophore models database were constructed by integrating amply reported GPCR ligand data. In this paper, a pharmacophore database called GPCR_PharmDB, which contains 110 records covering 8 GPCR families and 17 subset GPCR, was constructed. The methods to format and verify the collected pharmacophore models were also discussed. From the statistical data of the pharmacophore, we could find that 87% of these models contain hydrophobic feature, 66% contain aromatic feature, and 45% contain positive ions. GPCR_PharmDB will greatly facilitate the discovery of novel and selective GPCR ligands.