目的 使用毒理學軟件和細菌回復突變（Ames）試驗評價大黃素型蒽醌類化合物的致突變風險，分析不同取代基及所在位置對大黃素型蒽醌致突變風險的影響。方法 使用Toxtree、Derek Nexus和Sarah Nexus毒性預測軟件對大黃素、羥基大黃素、蘆薈大黃素、大黃素甲醚、大黃酚、大黃酸、大黃素-8-O-β-D-葡萄糖苷、蘆薈大黃素-8-O-β-D-葡萄糖苷、大黃素-1-O-β-D-葡萄糖苷、大黃素甲醚-8-O-β-D-葡萄糖苷的致突變風險進行預測，并使用鼠傷寒沙門氏菌TA97、TA98、TA100、TA102、TA1535和TA1537及大腸桿菌WP2 uvrA開展基于6孔板的Ames試驗，評價10種大黃素型蒽醌的致突變性。結(jié)果 基于蒽醌母核結(jié)構(gòu)，Toxtree、Derek Nexus和Sarah Nexus毒性預測軟件提示所有大黃素型蒽醌均存在致突變風險。在非S9代謝活化狀態(tài)下，蘆薈大黃素導致TA98和WP2 uvrA Ames菌落數(shù)增加，大黃酚、大黃酸導致WP2 uvrA Ames菌落數(shù)增加。在大鼠肝S9代謝活化狀態(tài)下，大黃素和大黃酸導致TA98和TA1537 Ames菌落數(shù)增加，羥基大黃素導致TA97、TA98、TA1537和WP2 uvrA Ames菌落數(shù)增加，蘆薈大黃素導致TA98、TA1537和WP2 uvrA Ames菌落數(shù)增加，大黃素甲醚導致TA1537 Ames菌落數(shù)增加，大黃酚導致TA1537和WP2 uvrA回復菌落突變數(shù)增加，大黃素-8-O-β-D-葡萄糖苷可引起TA1537回復突變菌落數(shù)增加。結(jié)論 大黃素型蒽醌類化合物在大黃素母核的基礎(chǔ)引入羥基后其誘變能力顯著升高，較大葡萄糖苷基團的引入反而使受試物誘變能力降低。

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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國家自然科學基金資助項目（81503347）；國家十三五"重大新藥創(chuàng)制"專項（2018ZX09201017）