Estimation of Affinity of HLA-A*0201 Restricted CTL Epitope Based on the SCORE Function

Author(s): Lin Zhi-Hua, Wang Huai-Liang, Zhu Bo, Wang Yuan-Qiang, Lin Yong, Wu Yu-Zhang

Journal Name: Protein & Peptide Letters

Volume 16 , Issue 5 , 2009

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Abstract:

A set of 70 peptides with affinity for the class I MHC HLA-A*0201 molecule was subjected to quantitative analyses of structure-affinity relationship based on the SCORE function with good results (r2=0.6982, q2=0.6188, RMS=0.280). Then the ‘leave-one-out’ cross-validation (LOO-CV) and an outer test set including 18 outer samples were used to validate the QSAR model, and the results show that the QSAR model has good predictability for outside samples. Statistical analysis showed that the hydrophobic and hydrogen bond interaction played a significant role in peptide-MHC molecule binding. The study also provided useful information for structure modification of CTL epitope, and laid theoretical base for molecular design of therapeutic vaccine.

Keywords: SCORE function, HLA-A*0201, CTL epitope, Affinity, QSAR

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Article Details

VOLUME: 16
ISSUE: 5
Year: 2009
Page: [561 - 569]
Pages: 9
DOI: 10.2174/092986609788167815
Price: $65

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