Multivariate Parametrization of 55 Coded and Non‐Coded Amino Acids

Abstract

Abstract The previously derived z‐scales for the 20 coded amino acids have been extended to cover non‐coded amino acids. In total, 55 amino acids (35 non‐coded) were multivariately characterized by seven TLC variables, three NMR variables and two theoretical variables, resulting in three extended z‐scales (z 1 ′, z 2 ′ and z 3 ′). These scales were validated in QSAR studies on two different series of peptides. They were used to model 40 bradykinin potentiating pentapeptides, and 48 dipeptides with bitter taste. The former series contained 10 peptides with non‐coded amino acids. Thus, the extended z‐scales were validated both for their coded and non‐coded parts.