Identification of roots of Rubus parvifolius L. by UPLC-MS/MS and network pharmacology analysis
10.3760/cma.j.cn115398-20240223-00154
- VernacularTitle:基于UPLC-MS/MS的茅莓根成分辨识及网络药理学分析
- Author:
Xiaozhou JIA
1
;
Han LIN
;
Jiaying HE
;
Chunlin ZHONG
;
Yongxin LIANG
;
Liye PAN
;
Xiangdong CHEN
Author Information
1. 广东一方制药有限公司 广东省中药配方颗粒企业重点实验室，佛山 528241
- Keywords:
Chemical Compositions (TCD);
Rubi Parvifolii Radix;
UPLC-MS/MS;
Network pharmacology;
Mechanism
- From:
International Journal of Traditional Chinese Medicine
2025;47(1):75-81
- CountryChina
- Language:Chinese
-
Abstract:
Objective:The components of Rubus parvifolius L. were analyzed based on UPLC-MS/MS technology and combined with network pharmacology analysis to explore the mechanism of action of Rubi Parvifolii Radix in treating inflammation, cough, fever, influenza and sore throat. Method:The chemical constituents of Rubi Parvifolii Radix were identified according to the information of mass spectrometry. The network pharmacology was used to analyze the corresponding targets and related pathways of its chemical components, and the "component-target-pathway" interaction diagram was drawn. PyMOL 2.5.7 software wasused to perform molecular docking between active components and key targets.Results:Twenty chemical components were identified by UPLC-MS/MS, and 15 components were screened out by network pharmacology, which can be used as quality markers of Rubi Parvifolii Radix, namely Azelaic acid, Procyanidol B3, Caprolactam, Bis (2-ethylhexyl) adipate, Cryptochlorogenic acid, 3-O-Feruloylquinic, Ellagic acid, Aurantiamide acetate, 2 α,3 β,19 α,23-Tetrahydroxyurs-12-en-28-oic acid, L-Epicatechin, (E)-3-Indoleacrylic acid, Euscaphic acid, Suberic acid, Diisononyl phthalate and Prodelphinidin T4. Molecular docking showed that 5 compounds compared with the reference substance could bind to the target proteins of disease well. Conclusions:The 15 active ingredients in Rubi Parvifolii Radix, including Caprolactam and (E)-3-Indoleacrylic acid, may play a therapeutic role in treating colds, high fever, sore throat, and inflammation by acting on targets such as AKT1 and TNF. This provides a certain reference for the clinical application of Rubi Parvifolii Radix.
