正交试验优化白芷的水提取工艺研究

目的 采用网络药理学与分子对接法探索疏风解毒胶囊治疗新型冠状病毒肺炎（COVID-19）的潜在作用机制与活性成分。方法 借助TCMSP数据库检索疏风解毒胶囊组成药材板蓝根、虎杖、连翘、芦根、败酱草、马鞭草、柴胡、甘草的化学成分和作用靶点，通过Swiss Target Prediction数据库剔除可能性为0的靶点。以“冠状病毒（coronavirus）”“肺炎（pneumonia）”“咳嗽（cough）”“发热（fever）”为检索词在GeneCards及OMIM数据库中检索疾病相应靶点。通过Uniprot数据库校正靶点名称，取疏风解毒胶囊与疾病靶点交集，进而运用Cytoscape 3.7.2软件构建中药-化合物-靶点网络进行可视化，通过DAVID数据库进行GO功能富集分析和KEGG通路富集分析，预测交集靶点作用机制，并绘制柱状图及气泡图进行可视化。然后将所有化合物与新型冠状病毒（SARS-CoV-2）3CL水解酶进行对接，选取结合能最小的前5个化合物与血管紧张素转化酶II（ACE2）进行对接。结果 中药-化合物-靶点网络包含了8种中药，157个化合物和相应靶点260个，关键靶点涉及PTGS2、ESR1、AR等。GO功能富集分析得到条目393个（P<0.05），KEGG通路富集分析筛选得到139条信号通路。分子对接结果显示6-（3-氧吲哚-2-亚立德）吲哚2，1-b]喹唑啉-12-酮、荷包牡丹碱、大黄素甲醚葡萄糖苷、双氢轮叶十齿草碱和甘草异黄烷酮5个核心化合物与SARS-CoV-2 3CL水解酶及ACE2的结合能较推荐化学药小。结论 疏风解毒胶囊中的化合物能通过与SARS-CoV-2 3CL水解酶及ACE2结合作用于PTGS2、ESR1、AR等靶点调节人巨细胞病毒感染、卡波西肉瘤相关疱疹病毒感染、IL-17信号通路等信号通路、小细胞肺癌等发挥治疗COVID-19作用。

Optimization of water extraction process of Angelicae Dahuricae Radix by orthogonal test

Objective To explore the best water extraction process of Angelicae Dahuricae Radix. Methods Taking dry extract yield, imperatorin transfer rate and the comprehensive score as evaluation indicators, a single factor test was used to investigate the effects of soaking time, extraction time, extraction times, and water addition multiples on the extraction effect. L₉(3⁴) orthogonal test method was used to further optimize the soaking time, extraction time, extraction times, and water addition ratio, and to verify the optimization process. Results The optimized extraction process was adding 12 times of water, extract 3 times, and each extraction for 0.5 h. The verification test showed that the average yield of the dry extract obtained by the optimized process was 24.25%, and the average transfer rate of imperatorin was 17.24%. Conclusion The optimized water extraction process is stable and feasible. It can be used for the water extraction of Angelicae Dahuricae Radix.