摘要
Derived from 149 hydrophobic factors of 20 natural amino acids, a novel amino acid descriptor termed as generalized hydrophobicity scale (GH-scale) was proposed by principal component analysis (PCA). Via genetic algorithm-partial least square (GPLS) method, quantitative structure-activity relationship (QSAR) model was constructed by GH-scale for 152 human leukocyte antigen (HLA)-A*0201-restricted cytotoxic T lymphocyte (CTL) epitopes with the model estimated and cross-validated correlative coefficients of R2 = 0.813 and Q2 = 0.725, respectively. It was in- dicated that hydrophobic interaction played an im- portant role in HLA-A*0201-CTL interaction, promi- nently at anchor residues.
Derived from 149 hydrophobic factors of 20 natural amino acids, a novel amino acid descriptor termed as generalized hydrophobicity scale （GH-scale） was proposed by principal component analysis （PCA） Via genetic algorithm-partial least square （GPLS） method, quantitative structure-activity relationship （QSAR） model was constructed by GH-scale for 152 human leukocyte antigen （HLA）-A^＊0201-restricted cytotoxic T lymphocyte （CTL） epitopes with the model estimated and cross-validated correlative coefficients of R^2 = 0.813 and Q^2 = 0.725, respectively. It was indicated that hydrophobic interaction played an important role in HLA-A^＊0201-CTL interaction, prominently at anchor residues.
关键词
疏水性
氨基酸
CTL抗原决定基
遗传算法
白细胞抗原
T淋巴细胞
generalized hydrophobicity scale of amino acids, HLA-A^＊0201, CTL epitope, quantitative structure-activity relationship, genetic algorithm-partial least square regression.
