首页|基于网络药理学和组分结构理论探讨独一味抗炎有效成分的协同作用与配伍结构

基于网络药理学和组分结构理论探讨独一味抗炎有效成分的协同作用与配伍结构

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基于网络药理学、组分结构理论剖析独一味抗炎有效成分(环烯醚萜苷类:山栀子苷甲酯、8-O-乙酰山栀子苷甲酯;黄酮苷类:木犀草苷;苯乙醇苷类:连翘酯苷B)的协同作用与配伍结构。网络药理学:利用CTD、SwissTargetPrediction、Pharm-Mapper数据库收集并筛选了各有效成分抗炎靶点;通过CTD、GeneCards数据库获得炎症相关靶点;利用Venny 2。1、STRING和Cytoscape 3。9。1得到核心靶点;通过DAVID数据库对核心靶点进行GO功能注释及KEGG通路富集分析。组分结构:基于二甲苯致小鼠耳肿胀模型和均匀设计法,以炎症因子肿瘤坏死因子-α(tumor necrosis factor-α,TNF-α)、白细胞介素-6(interleu-kin-6,IL-6)为因变量,通过二次多项式逐步回归,探究独一味抗炎成分间的配伍关系,并进行体内药效实验验证。网络药理学研究表明,与单一组分相比,3类组分共同作用可通过更多生物过程、通路、靶点协同发挥抗炎作用。组分结构研究表明,环烯醚萜苷组分内(山栀子苷甲酯∶8-O-乙酰山栀子苷甲酯)最佳结构比例为1。21∶1;3类组分间(环烯醚萜苷∶苯乙醇苷∶黄酮苷类)最佳结构比例为4。8∶1。6∶1。综上,独一味各抗炎成分可协同增效,且成分间存在最优配伍比例关系,为独一味内在质量控制提供了新的实验依据。
Synergistic effect and compatibility structure of active anti-inflammatory ingredients from Lamiophlomis rotata based on network pharmacology and component structure theory
The synergistic effect and compatibility structure of active anti-inflammatory ingredients(iridoid glycosides:shanzhiside methylester and 8-O-acetylshanzhiside methyl ester,flavonoid glycoside:luteoloside,and phenylethanoid glycoside:forsythoside B)from Lamiophlomis rotata were explored based on network pharmacology and component structure theory.In network pharmacology,CTD,SwisseTargetPrediction,and PharmMapper databases were used to collect and screen the targets of all active ingredients.The in-flammation-related targets were obtained from CTD and GeneCards databases.The core targets were obtained by Venny 2.1.0,STRING,and Cytoscape 3.9.1.Core targets were annotated by the GO function and enriched by the KEGG pathway based on the DAVID database.In terms of component structure,based on a uniform design method and xylene-induced ear swelling model in mice,tumor necrosis factor-α and interleukin-6 were taken as the dependent variables,and the compatibility relationship among anti-inflam-matory ingredients from L.rotata was explored through the quadratic polynomial stepwise regression.In addition,in vivo pharmacologi-cal experiments were conducted to verify the results.A network pharmacology study showed that compared with a single ingredient,the combined action of the three ingredients can synergistically exert anti-inflammatory effects through more biological processes,pathways,and targets.Component structure study showed that the optimal structural ratio of shanzhiside methylester and 8-O-acetylshanzhiside methyl ester in the iridoid glycoside ingredient was 1.21∶1.The optimal structural ratio among the three types of ingredients(iridoid glycosides∶phenylethanol glycoside∶flavonoid glycoside)was 4.8∶1.6∶1.In conclusion,each anti-inflammatory ingredient from L.ro-tata can work synergistically,and there is an optimal compatibility ratio relationship among these ingredients.This work provides a new experimental basis for the intrinsic quality control of L.rotata.

Lamiophlomis rotataanti-inflammatoryactive ingredientsnetwork pharmacologyuniform designcompatibility ratio

康点点、张蓉蓉、詹琥珀、孙杰玉、蒋桂华、蒋运斌

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成都中医药大学药学院,西南特色中药资源国家重点实验室,四川成都 611137

西南大学药学院·中医药学院,重庆 400715

成都中医药大学民族医药学院,四川成都 611137

独一味 抗炎 有效组分 网络药理学 均匀设计 配伍比例

国家自然科学基金青年科学基金项目

82104528

2024

中国中药杂志
中国药学会

中国中药杂志

CSTPCD北大核心
影响因子:1.718
ISSN:1001-5302
年,卷(期):2024.49(13)