基于网络药理学结合层次分析法-熵权法和正交实验研究正骨洗药提取工艺

Study on the extraction process of Zhengguxiyao based on network pharmacology combined with analytic hierarchy process⁃entropy weight method and orthogonal test

目的:采用网络药理学方法结合层次分析法(analytic hierarchy process,AHP)-熵权法及正交实验优选正骨洗药提取工艺。方法:通过TCMSP,UniProt,GeneCards,DrugBank,OMIM等数据库获取正骨洗药活性成分及对应靶点以及软组织损伤疾病靶点;利用STRING数据库以及分子对接技术对正骨洗药治疗软组织损伤的潜在化学成分进行分析。以指标性成分含量以及出膏率为评价指标,运用AHP-熵权法确定各因素权重系数,通过正交实验筛选最佳提取工艺。结果:筛选得到阿魏酸、羟基红花黄色素A(hydroxysafflor-yellow-A,HSYA)为正骨洗药治疗软组织损伤潜在活性成分并以其为正交实验指标性成分;正交实验筛选得到的最佳提取工艺为加水12倍量、提取时间1 h、提取3次。结论:利用网络药理学筛选出指标性成分,结合正交实验优选得到的正骨洗药最佳提取工艺,稳定且准确性好,可为后续制剂研究提供参考。

Objective:To optimize the extraction process of Zhengguxiyao by using network pharmacology method combined with analytic hierarchy process(AHP)⁃entropy weight method and orthogonal test.Methods:The TCMSP,UniProt,GeneCards,DrugBank,OMIM and other databases were used to obtain the active ingredients and corresponding targets for Zhengguxiyao as well as the disease targets of soft tissue injuries.The potential chemical components of Zhengguxiyao for the treatment of soft tissue injuries were obtained from the STRING database and molecular docking.With the content of Indicator ingredients and dry extract yield as the evaluation indexes,and the AHP⁃entropy weighting method was applied to determine the weight coefficients of each factor,and the optimal extraction process was screened by orthogonal test.Results:The potential active ingredients of Zhengguxiyao for the treatment of soft tissue injury from screening were ferulic acid and hydroxysafflor⁃yellow⁃A(HSYA),and these two components were used as index ingredients in orthogonal tests.The optimal extraction process screened by orthogonal test was as follows:12 times the amount of water,the extraction time of 1 hour,and extraction for three times.Conclusion:The extraction process of Zhengguxiyao was optimized by the index components obtained from network pharmacology,combined with the orthogonal test.It was stable and accurate,and can provide a reference for the subsequent preparation research.