基于网络药理学结合响应面法优选酸枣仁-南五味子药对醇提工艺

Optimization of ethanol reflux extraction process of Ziziphi Spinosae Semen- Schisandrae Sphenantherae Fructus based on network pharmacology combined with response surface methodology

通过网络药理学及Box-Behnken法优选酸枣仁-南五味子药对醇提工艺。采用网络药理学和分子对接技术分别对酸枣仁-南五味子药对潜在活性成分进行筛选和验证,并参考《中国药典》2020年版一部酸枣仁、南五味子项下的含量测定成分,确定工艺评价指标成分;采用层次分析法(AHP)确定各成分权重系数,计算综合评分,作为工艺评价指标;通过Box-Behnken法优选酸枣仁-南五味子醇提工艺。筛选出酸枣仁-南五味子药对中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、五味子醇乙、五味子甲素、五味子乙素;利用Box-Behnken法得到最佳提取工艺条件:提取时间90 min、乙醇体积分数85%、提取次数2次。通过网络药理学及分子对接,确定工艺评价指标,优选的工艺稳定,可为含酸枣仁-南五味子药对的制剂生产提供实验依据。

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.