Structure-Activity Relationship of Sweet Molecules: Phenylurea Derivatives

A model of sweet and nonsweet substituted phenylureas has been developed by discriminant analysis of chemical and structural data. The model has been used to predict the taste of additional phenylurea derivatives of unknown taste and to select candidates for chemical synthesis and sensory analysis. The three-dimensional computer aided model of compounds of interest was generated and fitted a spatial receptor model, to discuss importance of hydrogen bonding, bulkness and the steric factor for sweetness.