基于网络药理学和设计空间优化黄芩提取工艺

Optimization of Extraction Process of Scutellariae radix Based on Network Pharmacology and Design Space

通过超高效液相色谱-四级杆飞行时间质谱分析黄芩提取液的物质基础,从中鉴定出了26个黄酮与黄酮醇类化合物,并以药物和疾病为导向,利用网络药理学筛选黄芩苷、野黄芩苷、汉黄芩苷和汉黄芩素为主要活性成分。将这些物质的得率作为提取工艺优化的评价指标,以先水提后醇提的方法,通过确定性筛选实验设计考察工艺参数对评价指标的影响,从而建立黄芩提取的设计空间。实验设计的操作范围为:第1次提取时间为35~45 min,液固比为16~18 mg/L;第2次提取乙醇体积分数为35%~45%,温度为78~82℃,时间为45 min,液固比为14~16 mg/L。实验结果表明本文提取工艺稳定可靠,提高了工艺研究与药物临床的相关性,可为药物质量提升与工艺开发提供思路。

In this study,ultra performance liquid chromatography-qiadrupole time-of-flight mass spectrometry was used to analyze the chemical components of the extract of Scutellariae radix,from which 26 flavonoids and flacomols were identified.The main active components including baicalin,scutellarin,wogonoside and wogonin were selected by network pharmacology oriented by drug and disease.The yields of these components were used as the evaluation indexes for extraction process optimization.The influence of process parameters on the indexes was investigated through definitive screening design,so as to establish the design space for the extraction of Scutellariae radix.The recommended operating space was as follows:the time and liquid-solid ratio of the first extraction was 35—45 min and 16—18 mg/L,respectively;for the second extraction,the ethanol volume fraction was 35%—45%,the temperature was 78—82℃,the extraction time was 45 min and the liquid-solid ratio was 14—16 mg/L.The extraction process was proved to be stable and reliable.This study has improved the correlation between process research and drug clinical practice,which provided ideas for actual quality improvement and process development.