HLA-A2限制性CTL表位肽定量构效关系研究

基于SCORE打分函数，运用定量构效关系的理论和方法研究了HLA—A2限制性CTL表位九肽结构与亲和性间的定量关系，并建立了SCORE得分与亲和性的定量关系模型，并用外部样本（5个HLA—A2限制性CTL表位九肽）作为预测集用于检验模型的预测能力．基于SCORE打分函数建立的定量模型具有较好的相关性（r=0，9165，RMS=0．38）和对外部样本的预测能力（rpred=0．9847，RMS=0．135）．基于SCORE打分函数，运用定量构效关系研究的理论和方法建立了HLA—A2限制性CTL表位亲和性的定量预测方法，为实验鉴定高亲和性HLA—A2限制性CTL表位提供了理论依据．

Quantitative Structure-Activity Relationship Study on the HLA-A2 Restricted CTL Epitope

The quantitative relationship,between structure score and the affinity of the HLA-A2 restricted CTL epitopes,was studied based on the SCORE function by using the theory and method of QSAR.A test set include 5 HLA-A2 restricted CTL epitopes was used to validate the quantitative model.The quantitative model has good correlation(r=0.916 5,RMS=0.38),and good predictability for outside samples((rpred =0.984 7,RMS=0.135).A new method to predict the affinity of the HLA-A2 restricted CTL epitope was constructed based on the SCORE function by using QSAR methods,which provides a theory base to identify the CTL eptiope by using experimental methods and design a new therapeutic vaccine.