摘要
目的:建立益气活血通便方(Yiqi Huoxue Tongbian Recipe,YHTR)指纹图谱检测方法,并结合网络药理学方法对YHTR功效基准物质进行预测分析。方法:建立YHTR的高效液相色谱法(HPLC)指纹图谱,并对共有峰成分进行指认,运用网络药理学方法建立YHTR的成分-靶点-通路网络,利用AutoDock软件进行分子对接,进一步确定YHTR功效性成分选择的合理性。结果:YHTR的指纹图谱共标定14个共有峰,通过对照品指认出绿原酸、松果菊苷、毛蕊异黄酮葡萄糖苷、阿魏酸、毛蕊花糖苷、毛蕊异黄酮、芒柄花素7个色谱峰,10批样品的相似度均≥0.792,YHTR的功效基准物质有效地实现从药材-饮片-复方的传递;利用网络药理学方法对YHTR的7个活性成分进行分析,构建成分-靶点-通路网络,富集通路包括癌症、磷脂酰肌醇3-激酶-蛋白激酶B(PI3K-Akt)、脂质与动脉粥样硬化、前列腺癌等信号通路;根据网络药理学和分子对接结果分析,预测绿原酸、松果菊苷、毛蕊异黄酮葡萄糖苷、阿魏酸、毛蕊花糖苷、毛蕊异黄酮、芒柄花素7个成分可通过作用于上述通路起到补血活血、润肠通便的功效。结论:HPLC指纹图谱结合网络药理学方法操作简便、准确度高、稳定性好,可用于YHTR的质量控制,7个化学成分的准确测定也为YHTR功效基准物质的研究提供了依据。
Objective:To propose a fingerprint detection method for Yiqi Huoxue Tongbian Recipe(YHTR)based on fingerprint and network pharmacology,to predict and analyze the efficacy related substances of YHTR.Methods:The HPLC fingerprint detection method of YHTR was put forward,and the common peak components were identified.The"component-target-pathway"network of YHTR was established by network pharmacology,and molecular docking was conducted through AutoDock software to further determine the rationality of selecting functional components of YHTR.Results:A total of 14 common peaks were identified in the YHTR fingerprint.Seven chromatographic peaks were identified by the reference substances,including chlorogenic acid,echinacoside,calycosin 7-O-glucoside,ferulic acid,acteoside,calycosin,and formononetin.The similarity of ten batches of samples was no less than 0.792,and the functional primary substances of YHTR were effectively transferred from medicinal materials to decoction pieces to compound medicines.The analysis method of network pharmacology was adopted to analyze the seven active components of YHTR and build a"component-target-pathway"network.The enrichment pathway included signaling pathways such as cancer,PI3K-Akt,lipid and atherosclerosis,and prostate cancer.According to the result analysis of network pharmacology and molecular docking,it was predicted that the seven active components of chlorogenic acid,echinacoside,calycosin 7-O-glucoside,ferulic acid,acteoside,calycosin,and formononetin can act on the above pathways to invigorate blood,promote blood circulation,moisten intestines,and relieve constipation.Conclusion:The HPLC fingerprint combined with network pharmacology features simple operation,high accuracy,and sound stability,and can be employed for YHTR quality control.The accurate determination of the seven chemical components also provides references for studying YHTR efficacy primary substances.
作者
王本欢
杨晓玲
段明宇
杨秀娟
王智勇
李硕
赵林华
WANG Ben-huan;YANG Xiao-ling;DUAN Ming-yu;YANG Xiu-juan;WANG Zhi-yong;LI Shuo;ZHAO Lin-hua(Gansu University of Traditional Chinese Medicine,Lanzhou 730000,China;Northwest Collaborative Innovation Center for Traditional Chinese Medicine,Lanzhou 730000,China;Gansu Pharmaceutical Industry Innovation Research Institute,Gansu Lanzhou 730000,China;Gansu Province Traditional Chinese Medicine Modern Pharmaceutical Engineering Research Institute,Lanzhou 730000,China;Guang'anmen Hospital,China Academy of Chinese Medical Sciences,Beijing 100053,China)
出处
《中国现代中药》
CAS
2023年第6期1227-1235,共9页
Modern Chinese Medicine
基金
国家自然科学基金项目(81960713,82160750,82160755)
甘肃省高等学校创新基金项目(2021A-079)
甘肃省自然科学基金项目(18JR3RA201)
甘肃省基础研究创新群体项目(21JR7RA569)
甘肃省青年科技基金项目(20JR10RA331)
甘肃省教育厅项目(2121CYZC-21,2021B-157)
甘肃省高校中(藏)药化学与质量研究省级重点实验室项目(zzy-2018-06)。
