The prediction of bradykinin potentiating potency of pentapeptides. An example of a peptide quantitative structure-activity relationship.
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.
Hellberg
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Sjöström
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Wold
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D001920:Bradykinin / Q000494:pharmacology*; D004357:Drug Synergism; D008956:Models, Chemical; D009842:Oligopeptides / Q000494:pharmacology*; D013329:Structure-Activity Relationship
D009842:Oligopeptides; D001920:Bradykinin