Applying generalized hydrophobicity scale of amino acids to quantitative prediction of human leukocyte antigen-A~*0201-restricted cytotoxic T lymphocyte epitope  

作　　者：ZHOU Peng TIAN Feifei ZHANG Mengjun LI Zhiliang 

机构地区：[1]College of Chemistry and Chemical Engineering, Chongqing University, Chongqing 400044, China [2]State Key Laboratory of Chemo/Biosensing and Chemometdcs, Changsha 410082, China [3]Department of Medical Analysis, Third Surgeon University, Chongqing 400044, China

出　　处：《Chinese Science Bulletin》2006年第12期1439-1443,共5页

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 

分 类 号：R36[医药卫生—病理学]