title: [Fuzzy cluster for analysis of the relationship between the structure of cephalosporins and immune cross-reaction].
abstract: Six parameters (molecular negentropy, acidic group number, basic group number, proton donor group number, proton acceptor group number, and a ratio of C atomic group number to total atomic group number) for characterizing the structure of an antibody combining site in a R1 chain of cephalosporins were selected. Although 12 parameters characterized the site A and site B in a R1 chain were used in fuzzy cluster, Fischer weighting ratio (Fi) indicated that only 5 parameters, 4 of them characterized the structure of site A, play an important part in the cluster. Therefore it was speculated that the site A was the major combining site in the antigen-antibody interaction. According to the similarity of the R1 chains, cephalosporins could be clustered into 4 groups among which less cross-reaction took place. Using the "relative Hamming distance" of the R1 chains for description of their similarity, we found that the intensity of the cross-reaction assayed by immune tests had a close correlation with the "relative Hamming distance", so the distance was used for prediction of the intensity of the cross-reaction of cephalosporins.
authors.affiliation: National Institute for the Control of Pharmaceutical and Biological Products, Beijing, China.
authors.forename: C Q
authors.initials: CQ
authors.lastname: Hu
authors.forename: S H
authors.initials: SH
authors.lastname: Jin
authors.forename: X L
authors.initials: XL
authors.lastname: Sun
authors.forename: M D
authors.initials: MD
authors.lastname: Ren
mesh_terms: D001666:Binding Sites, Antibody; D002511:Cephalosporins / Q000737:chemistry / Q000276:immunology*; D016000:Cluster Analysis; D003429:Cross Reactions / Q000276:immunology; D000939:Epitopes / Q000276:immunology*; D013329:Structure-Activity Relationship
chemical_list: D002511:Cephalosporins; D000939:Epitopes