<i>In silico</i> Analysis of Interactions between <i>HLA-A*31:01</i> and carbamazepine-related Compounds

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  • Miyadera Hiroko
    Department of Human Genetics, Graduate School of Medicine, The University of Tokyo Research Center for Hepatitis and Immunology, National Center for Global Health and Medicine
  • Ozeki Takeshi
    Laboratory for Pharmacogenomics, RIKEN Center for Integrative Medical Sciences
  • Mushiroda Taisei
    Laboratory for Pharmacogenomics, RIKEN Center for Integrative Medical Sciences
  • Hirayama Noriaki
    Institute of Advanced Biosciences, Tokai University

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Other Title
  • <i>HLA-A*31:01</i>とカルバマゼピン関連化合物の相互作用に関する<i>in silico</i>解析
  • In silico analysis of interactions between HLA-A*31:01 and carbamazepine-related compounds

Abstract

Carbamazepine (CBZ) is a widely used anticonvulsant and is one of the major causative drugs of cutaneous adverse drug reactions (cADRs), such as Stevens-Johnson syndrome and toxic epidermal necrolysis. For the East Asians and Europeans HLA-A*31:01 is associated with CBZ-induced cADRs. We have undertaken in silico docking simulations of CBZ and its metabolites at the peptide-binding groove of HLA-A*31:01 in order to identify the chemical species responsible for the CBZ-induced cADR.

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