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首页> 外文期刊>Applied in vitro toxicology. >Integrated Testing Strategy for the Safety of Botanical Ingredients: A Case Study with German Chamomile Constituents
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Integrated Testing Strategy for the Safety of Botanical Ingredients: A Case Study with German Chamomile Constituents

机译：集成测试策略的安全植物材料:一个案例研究与德国洋甘菊成分

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Introduction: German chamomile is a botanical ingredient commonly used in cosmetics, thus determination of skin sensitization effects of German chamomile constituents is critical for the safety of consumers. Nonetheless, a systematic investigation of skin sensitization potential of chamomile constituents is lacking. Non-animal methods for skin sensitization hazard evaluation have been progressively accepted as attractive alternatives to conventional animal models, especially when used in an integrated fashion.Materials and Methods: In the present work, 30 constituents of German chamomile were investigated for skin sensitization using in silico, in chemico, and in vitro methods, including classification-quantitative structure–activity relationship (c-QSAR) models (ADMET predictor and CASE Ultra), an expert knowledge-based system (Derek Nexus), the Direct Peptide Reactivity Assay (DPRA), the high-throughput assay with dansylated cysteamine (HTS-DCYA), the KeratinoSens? assay, and the human Cell Line Activation Test (h-CLAT).Results and Discussion: Identical classification was found for 14 compounds upon comparison between computational and experimental methods. Seven compounds (umbelliferone, apigenin, kaempferol, isorhamnetin, nerol, α-terpinene, and carvone) were positive in both models, that is, in silico and experimental settings. Seven other compounds (caffeic acid, t-ferulic acid, cosemetin, hyperoside, α-terpineol, α-bisabolol, and chamazulene) were determined to be non-sensitizers instead.Conclusions: Among the compounds positive in experimental settings, umbelliferone and farnesene should be regarded as a potential concern because of their positive classification and significant concentration in German chamomile.
机译：作品简介:德国洋甘菊植物化妆品中常用的成分,因此测定皮肤敏化的影响德国洋甘菊成分是至关重要的消费者的安全。调查皮肤敏化的潜力洋甘菊成分缺乏。皮肤敏化风险评估的方法已经逐步接受为感兴趣吗替代传统的动物模型,特别是在一个集成使用时尚。工作,30德国洋甘菊成分追究使用在皮肤敏化硅片,chemico和体外方法,包括classification-quantitative结构与活性关系(c-QSAR)模型(ADMET预测和超),一个专家知识系统(Derek Nexus),直接肽反应试验(DPRA)高通量分析与dansylated半胱胺(HTS-DCYA) KeratinoSens吗?人类细胞系激活测试(h-CLAT)。和讨论:相同的分类发现了14化合物之间的比较计算和实验方法。化合物(umbelliferone芹黄素、山柰酚异鼠李亭、橙花醇、α萜品烯和香芹酮)是积极的在这两个模型,即在网上吗和实验设置。(咖啡酸、t-ferulic酸、cosemetinhyperoside,α-terpineol,α-bisabolol,和chamazulene)测定non-sensitizers代替。化合物积极在实验设置,umbelliferone和金合欢烯应该被视为一个潜在的担忧,因为他们积极的分类和显著的浓度德国洋甘菊。

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