黄杜鹃根化学成分及镇痛网络药理学研究

Identification of Chemical Consituents and Network Pharmacology Research of Rhododendron molle G.Don Root

研究黄杜鹃根的化学成分及镇痛的作用机制,为揭示黄杜鹃根镇痛药效物质基础提供理论依据。本文运用大孔树脂、硅胶柱色谱和制备色谱对黄杜鹃根进行化学成分分离,利用^(1)H NMR、^(13)C NMR、MS等波谱数据鉴定化合物的结构;综合成分结果联合网络药理学分析黄杜鹃根镇痛作用的主要靶点和关键通路。结果表明,共分离鉴定得到9个化合物:3个二氢查尔酮类化合物,分别是4’-O-甲基根皮苷(1)、根皮素4’-O-葡萄糖苷(2)、根皮素(3);3个三萜类化合物,分别是齐墩果酸(4)、白桦酸(5)、熊果酸(6);3个脂肪酸类化合物,分别是棕榈酸(7)、硬脂酸(8)、山嵛酸(9);网络药理学结果表明,分离得到的9个化合物主要作用在MAPK1、MAPK3、MAPK8、IL-6、CASP3等靶点,通过调控花生四烯酸代谢、炎症介质对色氨酸通道等信号通路发挥抗炎镇痛作用。该研究初步阐明黄杜鹃根的化学成分及潜在的作用机制,为筛选黄杜鹃根镇痛的药效成分及深入阐明作用机制提供了理论依据。

In order to provide theoretical basis for the material basis of analgesic effect,the chemical constituents and analgesic mechanism of Rhododendron molle G.Don root were studied.Component separation was carried out using macroporous resin,silica gel column chromatography and preparative chromatography,and the compound structures were identified by^(1)H NMR,^(13)C NMR and UPLC-QTOF-MS/MS.And the main targets and key pathways of components were analyzed by network pharmacology method.Nine compounds,including three dihydrochalcones,three triterpenoids and three fatty acids,were isolated and identified.The results of network pharmacology showed that 9 compounds mainly acted on MAPK1,MAPK3,MAPK8,IL-6 and CASP3 targets,regulated arachidonic acid metabolism and inflammatory mediators in tryptophan channels,and exerted anti-inflammatory and analgesic effects.In this study,the chemical constituents and potential mechanism were clarified,which provided a scientific theoretical basis for screening of analgesic substance of the root of Rhododendron molle G.Don.