目的 使用毒理学软件和细菌回复突变（Ames）试验评价大黄素型蒽醌类化合物的致突变风险，分析不同取代基及所在位置对大黄素型蒽醌致突变风险的影响。方法 使用Toxtree、Derek Nexus和Sarah Nexus毒性预测软件对大黄素、羟基大黄素、芦荟大黄素、大黄素甲醚、大黄酚、大黄酸、大黄素-8-O-β-D-葡萄糖苷、芦荟大黄素-8-O-β-D-葡萄糖苷、大黄素-1-O-β-D-葡萄糖苷、大黄素甲醚-8-O-β-D-葡萄糖苷的致突变风险进行预测，并使用鼠伤寒沙门氏菌TA97、TA98、TA100、TA102、TA1535和TA1537及大肠杆菌WP2 uvrA开展基于6孔板的Ames试验，评价10种大黄素型蒽醌的致突变性。结果 基于蒽醌母核结构，Toxtree、Derek Nexus和Sarah Nexus毒性预测软件提示所有大黄素型蒽醌均存在致突变风险。在非S9代谢活化状态下，芦荟大黄素导致TA98和WP2 uvrA Ames菌落数增加，大黄酚、大黄酸导致WP2 uvrA Ames菌落数增加。在大鼠肝S9代谢活化状态下，大黄素和大黄酸导致TA98和TA1537 Ames菌落数增加，羟基大黄素导致TA97、TA98、TA1537和WP2 uvrA Ames菌落数增加，芦荟大黄素导致TA98、TA1537和WP2 uvrA Ames菌落数增加，大黄素甲醚导致TA1537 Ames菌落数增加，大黄酚导致TA1537和WP2 uvrA回复菌落突变数增加，大黄素-8-O-β-D-葡萄糖苷可引起TA1537回复突变菌落数增加。结论 大黄素型蒽醌类化合物在大黄素母核的基础引入羟基后其诱变能力显著升高，较大葡萄糖苷基团的引入反而使受试物诱变能力降低。

Objective To evaluate the mutagenic risk of emodin-type anthraquinones using toxicology software and bacterial reverse mutation test, and to analyze the effect of different substituents and positions on the mutagenic risk of emodin-type anthraquinones. Method Toxtree, Derek Nexus and Sarah Nexu were used to predict the mutagenic risk of emodin, hydroxyl emodin, aloe emodin, emodin methyl ether, chrysophanol, emodin acid, emodin -8-O-β-D-glucoside, aloe emodin -8-O-β-D-glucoside, emodin-1-O-β-Dglucoside, emodin-8-O-β-D-glucoside. Salmonella typhimurium TA97, TA98, TA100, TA102, TA1535 and TA1537 and Escherichia coli WP2 uvrA were adopted to perform a 6-well plate-based bacterial reverse mutation test, and the mutagenicity of 10 emodin-type anthraquinones were evaluated. Results Based on the anthraquinone core structure, Toxtree, Derek Nexus and Sarah Nexus suggested that all emodin-type anthraquinones are mutagenic. In the condition absent of S9 metabolic activation, aloe-emodin led to an increase in the number of revertants of TA98 and WP2 uvrA, and hydroxyemodin, chrysophanol, and rhein led to an increase in the number of revertants of WP2 uvrA. In the conditon present of rat liver S9 metabolic activation, emodin and rhein increased the number of revertants of TA98 and TA1537, hydroxyemodin increased the number of revertants of TA97, TA98, TA1537 and WP2 uvrA, aloe-emodin increased the number of revertants of TA98 and TA1537 and WP2 uvrA, emodin methyl ether increased the number of revertants of TA1537, chrysophanol increased the number of revertants of TA1537 and WP2 uvrA, emodin-8-O-β-Dglucoside increased the number of revertants of TA1537. Conclusion The mutagenic capability of emodin-type anthraquinones was significantly increased after the introduction of hydroxyl groups into the base of emodin nucleus, while the introduction of larger glucoside groups decreased the mutagenic capability of the tested substances.

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国家自然科学基金资助项目（81503347）；国家十三五"重大新药创制"专项（2018ZX09201017）