title: [Prediction of acute GVHD after umbilical cord blood transplantation by HLA three-dimensional structure matching].
abstract: To explore a method of predicting acute graft versus host disease (aGVHD) after unrelated cord blood transplantation (UCBT), the HLA-A, -B, -DRB1 molecular three-dimensional structures in 25 patients with blood disorder who underwent UCBT and their donors were modeled by using molecular modeling technique. First, full amino acid sequences of each HLA antigen from HLA data banks were loaded down, and then amino acid sequence of extracellular antigen binding region was chosen. Third step, SPDBV software of SWISS-MODEL server was used to modeling the three-dimensional structures of each different allele of HLA-A, -B and -DRB1 between patients and donors and the parameter "root mean square deviation" (RMSD) was used to indicate the structure differences. Last, RMSD of each different HLA allele of each donor-patient pair were added together to get total RMSD. The 25 patients were divided into 3 groups: the first group did not develop aGVHD; the second group developed aGVHD graded I-II and the third group developed aGVHD graded III-IV. The results showed that in the 25 patients divided into three groups, 8 patients in the first group did not develop aGVHD (32%); 13 patients in the second group developed grade I-II of aGVHD (52%) and 4 patients in the third group developed aGVHD III-IV (16%). The total RMSDs of each group were 0.24 +/- 0.15, 0.25 +/- 0.14 and 0.47 +/- 0.22 respectively. The total RMSD of the third group was significantly higher than that of the other two groups. In conclusion, utilization of modeling HLA molecular three-dimension can predict the severe aGVHD after UCBT quickly, simply and accurately. It provides scientific basis in choosing a optimal cord blood donor to avoid severe aGVHD for physicians and the cord blood banks. And it is instructive too to direct the application of immunosuppressive agents after transplantation in clinic.
authors.affiliation: Institute of Transfusion Medicine, Academy of Military Medical Sciences, Beijing 100850, China.
authors.forename: Ri
authors.initials: R
authors.lastname: Xu
authors.forename: Wen-Ying
authors.initials: WY
authors.lastname: Yan
authors.forename: Xi-Feng
authors.initials: XF
authors.lastname: Jiang
authors.forename: Song-Mei
authors.initials: SM
authors.lastname: Xie
authors.forename: Na
authors.initials: N
authors.lastname: Zhu
authors.forename: Fan-Hua
authors.initials: FH
authors.lastname: Kong
authors.forename: Xue-Tao
authors.initials: XT
authors.lastname: Pei
mesh_terms: D000208:Acute Disease; D000293:Adolescent; D000328:Adult; D002648:Child; D002675:Child, Preschool; D036101:Cord Blood Stem Cell Transplantation / Q000009:adverse effects; D006086:Graft vs Host Disease / Q000209:etiology*; D006680:HLA Antigens / Q000737:chemistry*; D015234:HLA-A Antigens / Q000737:chemistry; D015235:HLA-B Antigens / Q000737:chemistry; D006684:HLA-DR Antigens / Q000737:chemistry; D059811:HLA-DRB1 Chains; D006650:Histocompatibility Testing; D006801:Humans; D008958:Models, Molecular
chemical_list: D006680:HLA Antigens; D015234:HLA-A Antigens; D015235:HLA-B Antigens; D006684:HLA-DR Antigens; D059811:HLA-DRB1 Chains