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首页> 美国卫生研究院文献>Journal of Toxicology >In Silico Risk Assessment of HLA-A*02:06-Associated Stevens-Johnson Syndrome and Toxic Epidermal Necrolysis Caused by Cold Medicine Ingredients
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In Silico Risk Assessment of HLA-A*02:06-Associated Stevens-Johnson Syndrome and Toxic Epidermal Necrolysis Caused by Cold Medicine Ingredients

机译：感冒药成分引起的HLA-A * 02：06-史蒂文斯-约翰逊综合症和中毒表皮坏死的计算机风险评估

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摘要

Stevens-Johnson syndrome (SJS) and toxic epidermal necrolysis (TEN) are severe drug hypersensitivities with high mortality. Typical over-the-counter drugs of cold medicines are suggested to be causative. As multiple ingredients are generally contained in cold medicines, it is of particular interest to investigate which ingredients are responsible for SJS/TEN. However, experimental examination of causal relationships between SJS/TEN and a particular drug molecule is not straightforward. Significant association between HLA-A*02:06 and SJS/TEN with severe ocular surface complications has been observed in the Japanese. In the present study, we have undertaken in silico docking simulations between various ingredients contained in cold medicines available in Japan and the HLA-A*02:06 molecule. We use the composite risk index (CRI) that is the absolute value of the binding affinity multiplied by the daily dose to assess the potential risk of the adverse reactions. The drugs which have been recognized as causative drugs of SJS/TEN in Japan have revealed relatively high CRI, and the association between SJS/TEN and HLA-A*02:06 has been qualitatively verified. The results have also shown that some drugs whose links to SJS/TEN have not been clinically recognized in Japan show the high CRI and suggested that attention should be paid to their adverse drug reactions.
机译：史蒂文斯-约翰逊综合征（SJS）和中毒性表皮坏死溶解（TEN）是严重的药物超敏反应，死亡率很高。建议使用典型的非处方药感冒药。由于感冒药中通常含有多种成分，因此研究哪些成分引起SJS / TEN尤为重要。但是，对SJS / TEN与特定药物分子之间的因果关系进行实验检查并不简单。在日本人中已经观察到HLA-A * 02：06和SJS / TEN与严重的眼表并发症之间的显着关联。在本研究中，我们进行了计算机对接模拟，模拟了日本可用的感冒药中包含的各种成分与HLA-A * 02：06分子之间的对接。我们使用复合风险指数（CRI）（即结合亲和力的绝对值乘以每日剂量）来评估不良反应的潜在风险。在日本被认为是SJS / TEN的致病药物的药物显示出较高的CRI，并且已定性验证了SJS / TEN与HLA-A * 02：06之间的关联。结果还表明，一些在日本尚未被临床认可与SJS / TEN有关联的药物显示出较高的CRI，建议应注意其不良药物反应。

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