title: Quantitative sequence-kinetics relationship in antigen-antibody interaction kinetics based on a set of descriptors [corrected].
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 k(d) ) were developed successfully using orthogonal signal correction-partial least squares method. The results showed that peptides will have high log k(d) 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.
authors.affiliation: Department of gynaecology and obstetrics, Xinqiao Hospital, Third Military Medical University, Chongqing 400037, China.
authors.forename: Xie
authors.initials: X
authors.lastname: Rong-Kai
authors.forename: Long
authors.initials: L
authors.lastname: Hai-Xia
authors.forename: Cheng
authors.initials: C
authors.lastname: Xiao-Ming
authors.forename: Wang
authors.initials: W
authors.lastname: Yuan-Qiang
authors.forename: Lin
authors.initials: L
authors.lastname: Yong
authors.forename: Yang
authors.initials: Y
authors.lastname: Ying
authors.forename: Zhu
authors.initials: Z
authors.lastname: Bo
authors.forename: Lin
authors.initials: L
authors.lastname: Zhi-Hua
mesh_terms: D000595:Amino Acid Sequence; D000914:Antibodies, Viral / Q000737:chemistry* / Q000235:genetics / Q000276:immunology; D036022:Capsid Proteins / Q000737:chemistry* / Q000235:genetics / Q000276:immunology*; D057927:Hydrophobic and Hydrophilic Interactions; D007700:Kinetics; D008969:Molecular Sequence Data; D009154:Mutation; D011485:Protein Binding; D021281:Quantitative Structure-Activity Relationship; D011994:Recombinant Proteins / Q000737:chemistry / Q000276:immunology / Q000378:metabolism
chemical_list: D000914:Antibodies, Viral; D036022:Capsid Proteins; D011994:Recombinant Proteins; C083292:coat protein, Tobacco necrosis virus (Nebraska)