The Prediction of Bradykinin Potentiating Potency of Pentapeptides. An Example of a Peptide Quantitative Structure-activity Relationship.
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TL;DR
The variation in amino acid sequence, in a set of bradykinin potentiating pentapeptides, is described by three variables per amino acid position and can be used to predict the activity of new peptide analogs.
Abstract
The variation in amino acid sequence, in a set of bradykinin potentiating pentapeptides, is described by three variables per amino acid position. The variables were derived from a principal components analysis of a property matrix for the 20 coded amino acids. The resulting structure descriptor matrix describes the observed activity of the peptides to 97% by means of a multivariate partial least squares (PLS) model. It is demonstrated that this quantitative structure-activity relationship (QSAR) can be used to predict the activity of new peptide analogs.