Quantitative Structure-Activity Relationship of Peptides Binding to the Class II Major Histocompatibility Complex Molecule A(q) Associated with Autoimmune Arthritis.
(2007) In Journal of Medicinal Chemistry 50(9). p.2049-2059- Abstract
- 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... (More)
- 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. (Less)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/167726
- author
- Holm, Lotta ; Frech, Kristina ; Dzhambazov, Balik LU ; Holmdahl, Rikard LU ; Kihlberg, Jan and Linusson, Anna
- organization
- publishing date
- 2007
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Journal of Medicinal Chemistry
- volume
- 50
- issue
- 9
- pages
- 2049 - 2059
- publisher
- The American Chemical Society (ACS)
- external identifiers
-
- wos:000245954600007
- scopus:34247575118
- ISSN
- 1520-4804
- DOI
- 10.1021/jm061209b
- language
- English
- LU publication?
- yes
- additional info
- The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Medical Inflammation Research (013212019)
- id
- b545cdfa-1d63-4fab-bf98-37497c82051e (old id 167726)
- alternative location
- http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?cmd=Retrieve&db=PubMed&list_uids=17425295&dopt=Abstract
- date added to LUP
- 2016-04-01 11:33:33
- date last changed
- 2022-01-26 07:03:38
@article{b545cdfa-1d63-4fab-bf98-37497c82051e, abstract = {{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.}}, author = {{Holm, Lotta and Frech, Kristina and Dzhambazov, Balik and Holmdahl, Rikard and Kihlberg, Jan and Linusson, Anna}}, issn = {{1520-4804}}, language = {{eng}}, number = {{9}}, pages = {{2049--2059}}, publisher = {{The American Chemical Society (ACS)}}, series = {{Journal of Medicinal Chemistry}}, title = {{Quantitative Structure-Activity Relationship of Peptides Binding to the Class II Major Histocompatibility Complex Molecule A(q) Associated with Autoimmune Arthritis.}}, url = {{http://dx.doi.org/10.1021/jm061209b}}, doi = {{10.1021/jm061209b}}, volume = {{50}}, year = {{2007}}, }