氨基酸非键作用指数用于HLA-A*0201限制性CTL表位定量预测研究

目的 预测SSX-1和SSX-4抗原HLA-A*0201限制性表位.方法 从分子的三维空间结构出发,基于静电、立体、疏水这三类与生物活性直接相关的非键作用方式,经主成分分析技术(PCA)得到了一种新的分子结构表达方法--氨基酸非键作用指数.利用该指数结合偏最小二乘(PLS)算法对152个HLA-A*0201限制性CTL表位进行了定量构效关系(QSAR)建模,再使用该模型对SSX-1和SSX-4抗原HLA.A*0201限制性表位进行预测.结果 预测出8个活性值大于7的九肽表位.结论 通过对SSX-1和SSX-4抗原HLA-A*0201限制性表位的预测,从而为SSX-1和SSD-4抗原HLA-A*0201限制性表位的实验探测和鉴定打下了基础.

Applying three dimensional amino acid index of nonbonding interaction to quantitative prediction of HLA-A*0201-restricted CTL epitope

Objective To predict the HLA-A*0201-restricted CTL epitopes in SSX-1 and SSX-4 proteins.Methods A novel three dimension amino acid index of nonbonding interaction(3D-AIN),which spatially represents molecule structure considering of three kinds of non-bond interaction(electrostatic,steric and hydrophobic interaction),was proposed by the principle component analysis(PCA).Via partial least squares(PLS) algorithm,the quantitative structure activity relationship(QSAR) model was constructed by the 3D-AIN for 152 HLA-A*0201-restricted CTL epitopes with correlative coefficient R2cum and cross-validated correlative coefficient Q2 were 0.505 and 0.588,respectively,which were better than those of the reference.The model was applied to predict SSX-1 and SSX-4 antigens of HLA-A*0201-restricted CTL epitopes.Results Eight HLA-A*0201-restricted CTL epitope candidates were predicted in SSX-1 and SSX-4 proteins.Conclusion The prediction of the CTL epitopes in SSX-1 and SSX-4 proteins will benefit the identification of CTL epitopes by experiment.