A comparative molecular similarity indices (CoMSIA) study of peptide binding to the HLA-A3 superfamily

Pingping Guan, Irini A. Doytchinova, Darren R. Flower

Research output: Contribution to journalArticlepeer-review

Abstract

Epitope identification is the basis of modern vaccine design. The present paper studied the supermotif of the HLA-A3 superfamily, using comparative molecular similarity indices analysis (CoMSIA). Four alleles with high phenotype frequencies were used: A*1101, A*0301, A*3101 and A*6801. Five physicochemical properties—steric bulk, electrostatic potential, local hydro-phobicity, hydrogen-bond donor and acceptor abilities—were considered and ‘all fields’ models were produced for each of the alleles. The models have a moderate level of predictivity and there is a good correlation between the data. A revised HLA-A3 supermotif was defined based on the comparison of favoured and disfavoured properties for each position of the MHC bound peptide. The present study demonstrated that CoMSIA is an effective tool for studying peptide–MHC interactions.
Original languageEnglish
Pages (from-to)2307-2311
Number of pages5
JournalBioorganic and Medicinal Chemistry Letters
Volume11
Issue number10
Early online date26 Mar 2003
DOIs
Publication statusPublished - 15 May 2003

Fingerprint Dive into the research topics of 'A comparative molecular similarity indices (CoMSIA) study of peptide binding to the HLA-A3 superfamily'. Together they form a unique fingerprint.

Cite this