摘要
目的 比较瓜蒌、薤白合煎液和单煎混合液化学成分差异与活性差异.方法 采用气相色谱-质谱法(GC-MS)检测样液成分,并结合网络药理学和分子对接探索干预冠心病的作用机制.结果 合煎液和单煎混合液化学成分谱轮廓总体相似,但合煎液中吡啶硼烷、正丁酸、正己酸和正庚酸等10个化合物含量显著高于单煎混合液.网络药理学结果显示正己酸、3-苯甲酰氧基吡啶、正戊酸、正庚酸等核心成分,作用于EGFR、VEGFA、STAT3、PPARG、PPARA、NOS3等核心靶点,影响HIF-1、PI3K-Akt、Ras等信号通路参与冠心病的治疗.结论 瓜蒌薤白合煎液与单煎混合液中部分与冠心病治疗相关的活性成分的含量存在差异,这为瓜蒌薤白汤的合理使用和进一步开发提供理论依据.
Abstract
Objective To compare the differences in chemical composition and activity between the combined decoction of Gualou and Xiebai and the single decoction mixture.Methods Gas chromatography-mass spectrometry(GC-MS)was used to detect the components of the sample solution,and network pharmacology and molecular docking were combined to explore the mechanism of intervention in coronary heart disease.Results The chemical composition profiles of the combined decoction and the single decoction mixture were generally similar,but the content of 10 compounds such as pyridine borane,butyric acid,hexanoic acid,and heptanoic acid in the combined decoction was significantly higher than that in the single decoction mixture.The network pharmacology results showed that core components such as n-hexanoic acid,3-benzoyloxypyridine,n-valeric acid,and n-heptanoic acid acted on core targets such as EGFR,VEGFA,STAT3,PPARG,PPARA,and NOS3,affecting HIF-1,PI3K-Akt,Ras,and other signaling pathways to participate in the treatment of coronary heart disease.Conclusion There are differences in the content of some active ingredients related to the treatment of coronary heart disease between the combined decoction of Gualou Xiebai and the single decoction mixture,which provides a theoretical basis for the rational use and further development of Gualou Xiebai Decoction.
维普
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