Theoretical amino acid descriptors. Application to bradykinin potentiating peptides.
A simple and computationally nonintensive technique based on principal component analysis of 3-dimensional fields to derive theoretical descriptors is presented. The descriptors are then applied to a quantitative structure-activity relationship study on bradykinin potentiating pentapeptides.
Norinder
U
U
Astra Research Centre, Södertälje, Sweden.
D000595:Amino Acid Sequence; D000596:Amino Acids / Q000737:chemistry*; D001920:Bradykinin / Q000737:chemistry* / Q000494:pharmacology; D015195:Drug Design; D004357:Drug Synergism; D008969:Molecular Sequence Data; D009842:Oligopeptides / Q000737:chemistry* / Q000494:pharmacology; D011487:Protein Conformation; D013329:Structure-Activity Relationship
D000596:Amino Acids; D009842:Oligopeptides; D001920:Bradykinin