THE PREDICTION OF BRADYKININ POTENTIATING POTENCY OF PENTAPEPTIDES - AN EXAMPLE OF A PEPTIDE QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP
THE PREDICTION OF BRADYKININ POTENTIATING POTENCY OF PENTAPEPTIDES - AN EXAMPLE OF A PEPTIDE QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP
复制标题
DOI：
10.3891/acta.chem.scand.40b-0135
复制
发表时间：
1986-01-01
期刊：
影响因子：
--
通讯作者：
WOLD, S
中科院分区：
文献类型：
--
作者：
HELLBERG, S;SJOSTROM, M;WOLD, S
在一组缓激肽增强的五肽中，氨基酸序列的变化由每个氨基酸位置的三个变量来描述。这些变量来自对20个编码氨基酸的属性矩阵的主成分分析。所得到的结构描述符矩阵通过多变量偏最小二乘(PLS)模型将观察到的多肽的活性描述到97%。结果表明，这种定量构效关系(QSAR)可用于预测新的多肽类似物的活性。
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.