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QSAR study on MHC class i A alleles based on the novel parameters of amino acids
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نویسنده
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wang j. ,wang x.-y. ,shu m. ,wang y.-q. ,lin y. ,wang l. ,cheng x.-m. ,lin z.-h.
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منبع
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protein and peptide letters - 2011 - دوره : 18 - شماره : 9 - صفحه:956 -963
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چکیده
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Mhc-epitope binding plays a key role in the cellular immune response. accurate prediction of mhc-epitope binding affinity can greatly expedite epitope screening by reducing costs and experimental effort. in this paper,13 t descriptors,which derived from 544 physicochemical properties of the natural amino acids,were used to characterize 4 mhc class i alleles epitope peptide sequences,the optimal qsar models were constructed by using stepwise regression combines with multiple linear regression (str-mlr). for hla-a*0201,hla-a*0203,hla-a*0206 and hlaa* 1101 alleles,the leave one out cross validation values (q 2 train) were 0.581,0.553,0.525 and 0.588,the correlation coefficients (r 2 train) of training datasets were 0.607,0.582,0.556 and 0.606,the correlation coefficients (r 2 test) of test datasets were 0.533,0.506,0.501 and 0.502,respectively. the results showed that all models can obtain good performance for prediction and explain the mechanism of interaction between mhc and epitope. the descriptors will be useful in structure characterization and activity prediction of peptide sequences. © 2011 bentham science publishers ltd.
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کلیدواژه
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Amino acids descriptors; Major Histocompatibility Complex (MHC); MHC class I allele; Quantitative structure-activity relationship (QSAR); Stepwise regression-multiple linear regression (STR-MLR)
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آدرس
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college of pharmacy and bioengineering,chongqing university of technology, China, college of pharmacy and bioengineering,chongqing university of technology, China, college of pharmacy and bioengineering,chongqing university of technology, China, college of pharmacy and bioengineering,chongqing university of technology, China, college of pharmacy and bioengineering,chongqing university of technology, China, college of pharmacy and bioengineering,chongqing university of technology,chongqing 400050,china,institute of immunology of pla,third military medical university, China, institute of respiratory diseases,xinqiao hospital,third military medical university, China, college of pharmacy and bioengineering,chongqing university of technology, China
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Authors
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