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rdf:type |
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lifeskim:mentions |
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pubmed:issue |
9
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pubmed:dateCreated |
2007-4-26
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pubmed:abstractText |
Presentation of (glyco)peptides by the class II major histocompatibility complex molecule Aq to T cells plays a central role in collagen-induced arthritis, an animal model for the autoimmune disease rheumatoid arthritis. A peptide library was designed using statistical molecular design in amino acid space in which five positions in the minimal mouse collagen type II binding epitope CII260-267 were varied. A substantially reduced peptide library of 24 peptides with diverse and representative molecular characteristics was selected, synthesized, and evaluated for the binding strength to Aq. A multivariate QSAR model was established by correlating calculated descriptors, compressed to its principle properties, with the binding data using partial least-square regression. The model was successfully validated by an external test set. Interpretation of the model provided a molecular property binding motif for peptides interacting with Aq. The information may be useful in future research directed toward new treatments of rheumatoid arthritis.
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pubmed:language |
eng
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pubmed:journal |
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pubmed:citationSubset |
IM
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pubmed:chemical |
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pubmed:status |
MEDLINE
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pubmed:month |
May
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pubmed:issn |
0022-2623
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pubmed:author |
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pubmed:issnType |
Print
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pubmed:day |
3
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pubmed:volume |
50
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pubmed:owner |
NLM
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pubmed:authorsComplete |
Y
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pubmed:pagination |
2049-59
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pubmed:meshHeading |
pubmed-meshheading:17425295-Animals,
pubmed-meshheading:17425295-Antigen-Presenting Cells,
pubmed-meshheading:17425295-Arthritis, Experimental,
pubmed-meshheading:17425295-Arthritis, Rheumatoid,
pubmed-meshheading:17425295-Binding Sites,
pubmed-meshheading:17425295-Cell Line,
pubmed-meshheading:17425295-Coculture Techniques,
pubmed-meshheading:17425295-Collagen Type II,
pubmed-meshheading:17425295-Drug Design,
pubmed-meshheading:17425295-Epitopes,
pubmed-meshheading:17425295-Glycopeptides,
pubmed-meshheading:17425295-Histocompatibility Antigens Class II,
pubmed-meshheading:17425295-Hybridomas,
pubmed-meshheading:17425295-Interleukin-2,
pubmed-meshheading:17425295-Least-Squares Analysis,
pubmed-meshheading:17425295-Mice,
pubmed-meshheading:17425295-Models, Molecular,
pubmed-meshheading:17425295-Peptide Library,
pubmed-meshheading:17425295-Protein Binding,
pubmed-meshheading:17425295-Quantitative Structure-Activity Relationship,
pubmed-meshheading:17425295-Spleen,
pubmed-meshheading:17425295-T-Lymphocytes
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pubmed:year |
2007
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pubmed:articleTitle |
Quantitative structure-activity relationship of peptides binding to the class II major histocompatibility complex molecule Aq associated with autoimmune arthritis.
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pubmed:affiliation |
Department of Chemistry, Umeå University, SE-901 87 Umeå, Sweden.
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pubmed:publicationType |
Journal Article,
Research Support, Non-U.S. Gov't
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