A New Set of Amino Acid Descriptors for the Development of Quantitative Sequence-Activity Modelings of HLA-A*0201 Restrictive CTL Epitopes

作者：Liang Gui Zhao^*; Shu Mao; Li Sheng Shi Z L

来源：Journal of the Chinese Chemical Society, 2008, 55(5): 1178-1185.

• Amino acids
• CTL epitopes
• SZOTT
• QSAM
• Principal component analysis
• Partial least squares
• Back-propagation artificial neural networks

A new set of amino acid descriptors, SZOTT (Scores of Zero dimension, One dimension, Two dimension, Three dimension) was derived from principal component analysis on a matrix of 1369 descriptors including 013, 1 D, 2D and 3D information of 20 coded amino acids. SZOTT scales were then employed to represent structures of HLA-A*0201 restrictive CTL epitopes, and further, quantitative sequence-activity modelings (QSAMs) were constructed based on partial least squares and back-propagation artificial neural networks. Satisfying results show that structural information related to biological activities of HLA-A*0201 restrictive CTL epitopes can be preferably represented by SZOTT scales, which may be a useful structural representation technique for study of QSAMs of peptides.

• 出版日期2008-10
• 单位重庆大学