کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1410468 | 1501869 | 2009 | 4 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
A novel method to estimate the affinity of HLA-Aâ0201 restricted CTL epitope
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آلی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: A novel method to estimate the affinity of HLA-Aâ0201 restricted CTL epitope A novel method to estimate the affinity of HLA-Aâ0201 restricted CTL epitope](/preview/png/1410468.png)
چکیده انگلیسی
A set of 70 peptides with affinity for the class I MHC HLA-Aâ0201 molecule was subjected to quantitative structure-affinity relationship studies based on the SCORE function with good results (r2Â =Â 0.6982, RMSÂ =Â 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. The results of the LOO-CV were q2Â =Â 0.6188, RMSÂ =Â 0.315, and the results of outer test set were r2Â =Â 0.5633, RMSÂ =Â 0.2292. All these show that the QSAR model has good predictability. 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.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 919, Issues 1â3, 17 February 2009, Pages 339-342
Journal: Journal of Molecular Structure - Volume 919, Issues 1â3, 17 February 2009, Pages 339-342
نویسندگان
Yun-sheng Xu, Yong Lin, Bo Zhu, Zhi-hua Lin,