Huang Mian, Song Yu-Meng, Wang Xi-Yue, Zhai Bing-Tao, Cheng Jiang-Xue, Zhang Xiao-Fei, Guo Dong-Yan
State Key Laboratory of Research & Development of Characteristic Qin Medicine Resources (Cultivation), Shaanxi Key Laboratory of Chinese Medicine Fundamentals and New Drugs Research, Shaanxi University of Chinese Medicine Xianyang 712046, China.
Zhongguo Zhong Yao Za Zhi. 2023 Feb;48(4):966-977. doi: 10.19540/j.cnki.cjcmm.20220712.303.
The present study optimized the ethanol extraction process of Ziziphi Spinosae Semen-Schisandrae Sphenantherae Fructus drug pair by network pharmacology and Box-Behnken method. Network pharmacology and molecular docking were used to screen out and verify the potential active components of Ziziphi Spinosae Semen-Schisandrae Sphenantherae Fructus, and the process evaluation indexes were determined in light of the components of the content determination under Ziziphi Spinosae Semen and Schisandrae Sphenantherae Fructus in the Chinese Pharmacopoeia(2020 edition). The analytic hierarchy process(AHP) was used to determine the weight coefficient of each component, and the comprehensive score was calculated as the process evaluation index. The ethanol extraction process of Ziziphi Spinosae Semen-Schisandrae Sphenantherae Fructus was optimized by the Box-Behnken method. The core components of the Ziziphi Spinosae Semen-Schisandrae Sphenantherae Fructus drug pair were screened out as spinosin, jujuboside A, jujuboside B, schisandrin, schisandrol, schisandrin A, and schisandrin B. The optimal extraction conditions obtained by using the Box-Behnken method were listed below: extraction time of 90 min, ethanol volume fraction of 85%, and two times of extraction. Through network pharmacology and molecular docking, the process evaluation indexes were determined, and the optimized process was stable, which could provide an experimental basis for the production of preparations containing Ziziphi Spinosae Semen-Schisandrae Sphenantherae Fructus.
本研究采用网络药理学和Box-Behnken法优化了酸枣仁-南五味子药对的乙醇提取工艺。运用网络药理学和分子对接技术筛选并验证了酸枣仁-南五味子的潜在活性成分,并依据《中国药典》(2020年版)中酸枣仁与南五味子项下含量测定的成分确定了工艺评价指标。采用层次分析法(AHP)确定各成分的权重系数,计算综合评分作为工艺评价指标。通过Box-Behnken法优化了酸枣仁-南五味子药对的乙醇提取工艺。筛选出酸枣仁-南五味子药对的核心成分为斯皮诺素、酸枣仁皂苷A、酸枣仁皂苷B、五味子醇甲、五味子醇、五味子甲素和五味子乙素。采用Box-Behnken法得到的最佳提取条件如下:提取时间90分钟,乙醇体积分数85%,提取次数2次。通过网络药理学和分子对接确定了工艺评价指标,优化后的工艺稳定,可为含酸枣仁-南五味子药对制剂的生产提供实验依据。