[关键词]
[摘要]
目的 探讨丹参对神经氨酸酶(neuraminidase,NA)的抑制活性,为抗流感药物开发提供潜在的中药资源。方法 使用NA抑制实验评估了丹参根提取物的抗流感病毒活性,采用超高效液相色谱-四极杆飞行时间质谱(UPLC-Q-TOF-MS)对丹参提取物中的活性化合物进行了初步鉴定,在乙醇提取物中鉴定出36种化合物。最后将鉴定出的8种主要化合物与NA靶标对接,并探讨了其NA抑制活性。结果 丹参乙醇提取物比石油醚提取物具有更好的NA抑制活性,8个化合物都表现出较强的对接效果。其中,紫草酸[半数抑制浓度(IC50)=157.44 mol/L]和迷迭香酸(IC50=204.74 mol/L)表现出良好的NA抑制活性,且高于奥司他韦酸(IC50=361.83 mol/L)。对接结果与NA抑制活性分析结果一致。结论 丹参具有NA抑制活性,其临床研究有待进一步探索。
[Key word]
[Abstract]
Objective To explore the inhibitory activity of Danshen (Salvia miltiorrhiza) on neuraminidase (NA) and provide potential Chinese medicine resources for anti-influenza drugs. Methods For the first time, the NA inhibition test was used to evaluate the anti-influenza virus activity of S. miltiorrhiza root extract. Later, ultra-performance liquid chromatography and quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS) were used to analyze the active compounds in S. miltiorrhiza extract. Preliminary identification, 36 compounds were identified in the ethanol extract. Finally, the eight main compounds were docked with NA targets, and their NA inhibitory activities were discussed. Results Ethanol extract had better NA inhibitory activity than petroleum ether extract, and all eight compounds showed a stronger docking effect. Among them, shikonic acid (IC50 = 157.44 mol/L) and rosmarinic acid (IC50 = 204.74 mol/L) showed the highest NA inhibitory activity, which was higher than that of oseltamivir acid (IC50 = 361.83 mol/L). The docking results were consistent with the results of NA inhibitory activity analysis.
[中图分类号]
R284.1
[基金项目]
国家自然科学基金资助项目(82073960);国家自然科学基金资助项目(U1812403-1);国家外专局“一带一路”专项(T2017052);“一带一路”国家传统草药实物库及图片信息库建设(211905);国家科技基础资源调查计划(2018FY100701)