{"title":"氟氯西林及其代谢物与HLA-B*57:01相互作用的计算机分析","authors":"Hideto Isogai, N. Hirayama","doi":"10.1273/CBIJ.19.1","DOIUrl":null,"url":null,"abstract":"An antibiotic flucloxacillin (FX) which is widely used for the treatment of staphylococcal infection, is known to cause liver injury. A genome-wide association study has shown that FX induced idiosyncratic drug toxicity (IDT) is associated with HLA-B*57:01 . FX is processed in the human body to produce several metabolites. Molecular interactions of FX or its metabolites with HLA-B*57:01 should play a crucial role in the occurrence of the adverse drug reaction. In this study, we have undertaken docking simulations of interactions of FX and its metabolites with HLA-B*57:01 to understand molecular mechanisms leading to the onset of IDT.","PeriodicalId":40659,"journal":{"name":"Chem-Bio Informatics Journal","volume":"24 1","pages":""},"PeriodicalIF":0.4000,"publicationDate":"2019-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"In silico analysis of interactions of flucloxacillin and its metabolites with HLA-B*57:01\",\"authors\":\"Hideto Isogai, N. Hirayama\",\"doi\":\"10.1273/CBIJ.19.1\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"An antibiotic flucloxacillin (FX) which is widely used for the treatment of staphylococcal infection, is known to cause liver injury. A genome-wide association study has shown that FX induced idiosyncratic drug toxicity (IDT) is associated with HLA-B*57:01 . FX is processed in the human body to produce several metabolites. Molecular interactions of FX or its metabolites with HLA-B*57:01 should play a crucial role in the occurrence of the adverse drug reaction. In this study, we have undertaken docking simulations of interactions of FX and its metabolites with HLA-B*57:01 to understand molecular mechanisms leading to the onset of IDT.\",\"PeriodicalId\":40659,\"journal\":{\"name\":\"Chem-Bio Informatics Journal\",\"volume\":\"24 1\",\"pages\":\"\"},\"PeriodicalIF\":0.4000,\"publicationDate\":\"2019-02-07\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Chem-Bio Informatics Journal\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1273/CBIJ.19.1\",\"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.19.1","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 of flucloxacillin and its metabolites with HLA-B*57:01
An antibiotic flucloxacillin (FX) which is widely used for the treatment of staphylococcal infection, is known to cause liver injury. A genome-wide association study has shown that FX induced idiosyncratic drug toxicity (IDT) is associated with HLA-B*57:01 . FX is processed in the human body to produce several metabolites. Molecular interactions of FX or its metabolites with HLA-B*57:01 should play a crucial role in the occurrence of the adverse drug reaction. In this study, we have undertaken docking simulations of interactions of FX and its metabolites with HLA-B*57:01 to understand molecular mechanisms leading to the onset of IDT.
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