Research Article: Quantitative Sequence–Kinetics Relationship in Antigen–Antiboby Interaction Kinetics Based on a Set of Descriptors

Authors

  • Xie Rong-Kai,

    1. Department of gynaecology and obstetrics, Xinqiao Hospital, Third Military Medical University, Chongqing 400037, China
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    • Contributed equally to this study.

  • Long Hai-Xia,

    1. Institute of Cancer, Xinqiao Hospital, Third Military Medical University, Chongqing 400037, China
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    • Contributed equally to this study.

  • Cheng Xiao-Ming,

    1. Institute of Respiratory Diseases, Xinqiao Hospital, Third Military Medical University, Chongqing 400037, China
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    • Contributed equally to this study.

  • Wang Yuan-Qiang,

    1. College of Chemical and Bioengineering, Chongqing University of Technology, Chongqing 400050, China
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  • Lin Yong,

    1. College of Chemical and Bioengineering, Chongqing University of Technology, Chongqing 400050, China
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  • Yang Ying,

    1. Department of gynaecology and obstetrics, Xinqiao Hospital, Third Military Medical University, Chongqing 400037, China
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  • Zhu Bo,

    Corresponding author
    1. Institute of Cancer, Xinqiao Hospital, Third Military Medical University, Chongqing 400037, China
      Corresponding authors: Lin Zhi-Hua, zhlin@cqut.edu.cn; Zhu Bo, oncology_bozhu@yahoo.com.cn)
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  • Lin Zhi-Hua

    Corresponding author
    1. College of Chemical and Bioengineering, Chongqing University of Technology, Chongqing 400050, China
      Corresponding authors: Lin Zhi-Hua, zhlin@cqut.edu.cn; Zhu Bo, oncology_bozhu@yahoo.com.cn)
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Errata

This article is corrected by:

  1. Errata: Erratum Volume 77, Issue 3, 224, Article first published online: 22 December 2010

Corresponding authors: Lin Zhi-Hua, zhlin@cqut.edu.cn; Zhu Bo, oncology_bozhu@yahoo.com.cn)

Abstract

The interaction between recombinant Fab57P and the coat protein of tobacco mosaic virus was studied using quantitative structure–activity relationship (QSAR) method. The development of quantitative multivariate model has shown to be a promising approach for unraveling protein–protein interactions by designed mutations in peptide sequence. This approach makes it possible to stereo-chemically determine which residue properties contribute most to the interaction. A set of side-chain descriptors was proposed and applied in structural characterization of three positions (positions 142, 145 and 146) in the peptide antigen. Quantitative sequence–kinetics relationship (QSKR) models describing the dissociation rates (log kd) were developed successfully using orthogonal signal correction–partial least squares method. The results showed that peptides will have high log kd values when the amino acids in position 142 and 145 have high net charge index, and when residue 145 has high hydrophobicity and residue 146 has low hydrophobicity.

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