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Prediction of antigenic determinants of trichosanthin by molecular modeling

机译：Prediction of antigenic determinants of trichosanthin by molecular modeling

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摘要

The antigenic determinants of trichosanthin were predicted by molecular modeling. First, the three-dimensional structure model of the antigen-binding fragment of anti-trichosanthin immunoglobulin E was built on the basis of its amino-acid sequence andthe known three-dimensional structure of an antibody with similar sequence. Secondly, the preferable antigen-antibody interactions were obtained based on the known three-dimensional structure of trichosanthin and of the hypervariable regions of anti-trichosanthin immunoglobulin E. Two regions in the molecular surface of trichosanthin were found to form extensive interactions with the hypervariable regions of the antibody and have been predicted to be the possible antigenic determinants: one is composedof two polypeptide segments, Ile201-Glu210 and Ile225-Asp229, which are close to each other in the three-dimensional structure; and the other is the segment Lysl73-Thrl78. The former region seems to be the more reasonable antigenic determinant than thelatter one.

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