Quantitative structure activity relationship modelling of peptides and proteins as a tool in food science

Peptides and proteins contribute to physical properties, biological activities and sensory characteristics of foods. Studies on the isolation and characterisation of peptides and proteins allow compilation of data sets on their structures and properties/activities. Quantitative structure activity relationship (QSAR) modelling provides methodology to find mathematical expressions for such relationships which may then be useful for estimating activities of any related compound and for predicting structures of high activity. Methodology for transforming peptide and protein structures into data sets are presented, and research relevant for food science and technology are discussed in this review. Peptide QSAR modelling has been especially useful for antimicrobial, ACE-inhibitory and bitter tasting peptides, but could easily be expanded to other areas within food research.