HLA-A2限制性CTL表位肽定量构效关系研究  

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

作　　者：李仁炳[1] 胥江河[1] 崔榕[1] 

机构地区：[1]重庆工商大学环境与生物工程学院,重庆400067

出　　处：《西南师范大学学报（自然科学版）》2007年第2期30-34,共5页Journal of Southwest China Normal University(Natural Science Edition)

摘　　要：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=0.916 5,RMS=0.38)和对外部样本的预测能力(rpred=0.984 7,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.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.

关 键 词：SCORE函数 CTL表位 亲和性 

分 类 号：O642.2[理学—物理化学]