title: [Computer modeling and experimental research of interactions between two anti-hTNF alpha monoclonal antibody variable regions and hTNF alpha].
abstract: On SGI workstation, we constructed two anti-hTNF alpha McAbs by means of homologous protein-structure-prediction method. And then, on the basis of relative experimental results and the surface properties of hTNF alpha and two McAbs, we performed the docking of hTNF alpha into two anti-hTNF alpha McAbs. In order to confirm the models, we prepared two hTNF alpha mutants designed according to the binding models, analysed and predicted the possible changes in complexes resulted from hTNF alpha mutations. The experimental analysis results proved these complex models. This will make the base of our next antibody humanization and/or reshape work.
authors.affiliation: Shanghai Research Centre of Bilotechnology, Chinese Academy of Sciences.
authors.forename: J J
authors.initials: JJ
authors.lastname: Chen
authors.forename: M
authors.initials: M
authors.lastname: Sun
authors.forename: J
authors.initials: J
authors.lastname: Fang
authors.forename: H
authors.initials: H
authors.lastname: Liu
authors.forename: C Q
authors.initials: CQ
authors.lastname: Chen
authors.forename: D B
authors.initials: DB
authors.lastname: Wang
mesh_terms: D000911:Antibodies, Monoclonal / Q000737:chemistry* / Q000276:immunology; D000937:Antigen-Antibody Reactions; D001666:Binding Sites, Antibody; D003198:Computer Simulation; D006801:Humans; D009154:Mutation; D014409:Tumor Necrosis Factor-alpha / Q000276:immunology*
chemical_list: D000911:Antibodies, Monoclonal; D014409:Tumor Necrosis Factor-alpha