Structure-taste correlation of L-aspartyl dipeptides using SIMCA method.
作者信息
Miyashita Y, Takahashi Y, Takayama C, Sumi K, Nakatsuka K, Ohkubo T, Abe H, Sasaki S
出版信息
J Med Chem. 1986 Jun;29(6):906-12. doi: 10.1021/jm00156a006.
PMID:3712380
Abstract
One of the pattern recognition techniques, the SIMCA method, has been applied to structure-taste studies on L-aspartyl dipeptides (L-Asp-NH-R). The sweet and bitter taste class models of the peptides were obtained by using five structural descriptors, such as molar refractivity, and four kinds of STERIMOL parameters. The classification rates were calculated to be 87% and 81% for sweet and bitter peptides, respectively. The SIMCA method has also suggested that two factors, shape and size, of the C-terminal amino acid moiety R in the dipeptides are extremely important to model their taste qualities.
摘要
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