Computer-assisted rational design of immunosuppressive compounds View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

1998-08

AUTHORS

Gérard Grassy, Bernard Calas, Abdelaziz Yasri, Roger Lahana, Jacky Woo, Suhasini Iyer, Michel Kaczorek, Robert Floc'h, Roland Buelow

ABSTRACT

We describe the rational design of immunosuppressive peptides without relying on information regarding their receptors or mechanisms of action. The design strategy uses a variety of topological and shape descriptors in combination with an analysis of molecular dynamics trajectories for the identification of potential drug candidates. This strategy was applied to the development of immunosuppressive peptides with enhanced potency. The lead compounds were peptides, derived from the heavy chain of HLA class I, that modulate immune responses in vitro and in vivo. In particular, a peptide derived from HLA-B2702, amino acids 75–84 (2702.75–84) prolonged skin and heart allograft survival in mice. The biological activity of the rationally designed peptides was tested in a heterotopic mouse heart allograft model. The molecule predicted to be most potent displayed an immunosuppressive activity approximately 100 times higher than the lead compound. More... »

PAGES

748-752

Journal

TITLE

Nature Biotechnology

ISSUE

8

VOLUME

16

Identifiers

URI

http://scigraph.springernature.com/pub.10.1038/nbt0898-748

DOI

http://dx.doi.org/10.1038/nbt0898-748

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1031057285

PUBMED

https://www.ncbi.nlm.nih.gov/pubmed/9702773


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