Change search
ReferencesLink to record
Permanent link

Direct link
Quantitative Structure-Activity Relationship of Peptides Binding to the Class II Major Histocompatibility Complex Molecule Aq Associated with Autoimmune Arthritis
Umeå University, Faculty of Science and Technology, Chemistry.
Umeå University, Faculty of Science and Technology, Chemistry.
Show others and affiliations
2007 (English)In: Journal of Medicinal Chemistry, Vol. 50, no 9, 2049-59 p.Article in journal (Refereed) Published
Abstract [en]

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.

Place, publisher, year, edition, pages
2007. Vol. 50, no 9, 2049-59 p.
URN: urn:nbn:se:umu:diva-16104DOI: doi:10.1021/jm061209bOAI: diva2:155777
Available from: 2007-08-17 Created: 2007-08-17 Last updated: 2011-01-11Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full text

Search in DiVA

By author/editor
Frech, KristinaKihlberg, JanLinusson, Anna
By organisation

Search outside of DiVA

GoogleGoogle Scholar
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

Altmetric score

Total: 58 hits
ReferencesLink to record
Permanent link

Direct link