{"title":"奈韦拉平相关化合物、HLA-B*14:02与t细胞受体相互作用的计算机分析","authors":"Hideto Isogai, N. Hirayama","doi":"10.1273/CBIJ.16.9","DOIUrl":null,"url":null,"abstract":"A non-nucleoside reverse-transcriptase inhibitor nevirapine (NVP) used to treat HIV-1 infection can cause severe, life-threatening idiosyncratic drug toxicity (IDT). It is known that the IDT caused by NVP or its metabolites is associated with the HLA-B*14:02 haplotype. The molecular mechanism of the HLA -associated IDT, however, has not been disclosed. In this study, we have simulated the interaction modes between NVP-related compounds, HLA-B*14:02 , and a T-cell receptor in order to understand the molecular mechanism leading to the onset of IDT.","PeriodicalId":40659,"journal":{"name":"Chem-Bio Informatics Journal","volume":null,"pages":null},"PeriodicalIF":0.4000,"publicationDate":"2016-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"5","resultStr":"{\"title\":\"In silico Analysis of Interactions between Nevirapine-related Compounds, HLA-B*14:02 and T-cell Receptor\",\"authors\":\"Hideto Isogai, N. Hirayama\",\"doi\":\"10.1273/CBIJ.16.9\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"A non-nucleoside reverse-transcriptase inhibitor nevirapine (NVP) used to treat HIV-1 infection can cause severe, life-threatening idiosyncratic drug toxicity (IDT). It is known that the IDT caused by NVP or its metabolites is associated with the HLA-B*14:02 haplotype. The molecular mechanism of the HLA -associated IDT, however, has not been disclosed. In this study, we have simulated the interaction modes between NVP-related compounds, HLA-B*14:02 , and a T-cell receptor in order to understand the molecular mechanism leading to the onset of IDT.\",\"PeriodicalId\":40659,\"journal\":{\"name\":\"Chem-Bio Informatics Journal\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":0.4000,\"publicationDate\":\"2016-06-30\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"5\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Chem-Bio Informatics Journal\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1273/CBIJ.16.9\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"BIOCHEMISTRY & MOLECULAR BIOLOGY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chem-Bio Informatics Journal","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1273/CBIJ.16.9","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"BIOCHEMISTRY & MOLECULAR BIOLOGY","Score":null,"Total":0}
In silico Analysis of Interactions between Nevirapine-related Compounds, HLA-B*14:02 and T-cell Receptor
A non-nucleoside reverse-transcriptase inhibitor nevirapine (NVP) used to treat HIV-1 infection can cause severe, life-threatening idiosyncratic drug toxicity (IDT). It is known that the IDT caused by NVP or its metabolites is associated with the HLA-B*14:02 haplotype. The molecular mechanism of the HLA -associated IDT, however, has not been disclosed. In this study, we have simulated the interaction modes between NVP-related compounds, HLA-B*14:02 , and a T-cell receptor in order to understand the molecular mechanism leading to the onset of IDT.
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