A docking model of dapsone bound to HLA-B*13:01 explains the risk of dapsone hypersensitivity syndrome

Article ID	Journal	Published Year	Pages	File Type
8715729	Journal of Dermatological Science	2017	38 Pages	PDF

Abstract

Our computational results suggest that dapsone would fit within the structure of the antigen-recognition site of HLA-B*13:01. This may change the self-peptides that bind to HLA-B*13:01, explaining why HLA-B*13:01 is a marker of DHS susceptibility.

Keywords

MM-PBSA OPLS Three-dimensional SJS TCr TIP3P DHS Human leukocyte antigen HLA dapsone ten Molecular dynamics Molecular structure Stevens-Johnson syndrome Docking simulation general amber force field Toxic epidermal necrolysis Binding affinity optimized potentials for liquid simulations GAFF T cell receptor

Related Topics

Health Sciences Medicine and Dentistry Dermatology

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A docking model of dapsone bound to HLA-B*13:01 explains the risk of dapsone hypersensitivity syndrome

Authors

Hideaki Watanabe, Yurie Watanabe, Yasuya Tashiro, Taisei Mushiroda, Takeshi Ozeki, Hideo Hashizume, Hirohiko Sueki, Toshinori Yamamoto, Naoko Utsunomiya-Tate, Hiroaki Gouda, Yoshio Kusakabe,