基于SCORE函数估算HLA-A*0201限制性CTL表位亲和性

目的 建立HLA-A*0201限制性CTL表位亲和性的定量预测方法。方法基于SCORE打分函数，运用定量构效关系的理论和方法研究了HLA-A*0201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-A*0201限制性CTL表位九肽)作为预测集用于检验模型的预测能力。结果基于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)。结论基于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-A*0201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-A*0201限制性CTL表位提供了理论依据。

Estimation of the affinity of HLA-A * 0201 restricted CTL epitope based on SCORE function

Objective To construct a new method for predicting the affinity of the HLA-A*0201 restricted CTL epitope in quantitative way. Methods The quantitative relationship, between structure score and the affinity of the HLA-A*0201 restricted CTL epitopes, was stu- died based on the SCORE function by using the theory and method of QSAR. A test set including 5 HLA-A*0201 restricted CTL epitopes was used to validate the quantitative model. Results The quantitative model has good correlation ( r = 0.9165, RMS = 0.38), and good predic- tability for outside samples ( r _ pred = 0.9847, RMS = 0.135). Conclusion A new method for predicting the affinity of the HLA-A*0201 restricted CTL epitope is constructed based on the SCORE function by using QSAR method, which provides a theory base for identifying the CTL eptiope by experimental methods and designing a new therapeutic vaccine.