基于超高效液相色谱-飞行时间质谱联用技术结合网络药理学探讨干姜和炮姜“温中散寒”功效差异机制

doi:10.3976/j.issn.1002-4026.2025015

山东科学

• 中药与天然活性产物 •

基于超高效液相色谱-飞行时间质谱联用技术结合网络药理学探讨干姜和炮姜“温中散寒”功效差异机制

李俊贤^1,2，刘双^1,2，米玉璋^1,2，卢腾飞^1,2，王晓^1,2,3，董红敬^1,2,3*，刘子尧¹

收稿日期：2020-02-12

基金项目：国家重点研发计划项目（2023YFC3503805）；国家现代农业产业技术体系项目（CARS-21）；山东省泰山学者工程项目（tstp20221138）

作者简介：李俊贤（1996-），男，硕士研究生，研究方向为中药活性成分分离及质量评价方法。E-mail：ljxherb@163.com；

*通信作者，董红敬（1986-），女，博士，副研究员，研究方向为中药活性成分分离及质量评价方法。E-mail：donghongjing_2006@163.com

1. 山东中医药大学药学院，山东济南250300;2. 齐鲁工业大学（山东省科学院）山东省分析测试中心天然产物分离提取共性技术创新与应用山东省工程研究中心，山东济南 250014;3. 齐鲁工业大学（山东省科学院）药学院山东省高等学校天然药物活性成分研究重点实验室，山东济南 250014

收稿日期:2025-02-12 接受日期:2025-04-20 上线日期:2025-11-19
通信作者: 董红敬 E-mail:donghongjing_2006@163.com
作者简介:李俊贤（1996-），男，硕士研究生，研究方向为中药活性成分分离及质量评价方法。E-mail：ljxherb@163.com
基金资助:
国家重点研发计划项目（2023YFC3503805）；国家现代农业产业技术体系项目（CARS-21）；山东省泰山学者工程项目（tstp20221138）

Exploring the mechanisms underlying the differencesin the “warming the middle to dispel cold” effects of dried and baked ginger based on UPLC-Q-TOF-MS/MS combined with network pharmacology

LI Junxian^1,2, LIU Shuang^1,2, MI Yuzhang^1,2, LUTengfei^1,2, WANG Xiao^1,2,3, DONG Hongjing^1,2,3*,LIU Ziyao¹

1. School of pharmacy, Shandong University of Traditional Chinese Medicine, Jinan 250300, China；2. Shandong Engineering Research Center for Innovation and Application of General Technology for Separation of Natural Products, Shandong Analysis and Test Center, Qilu University of Technology (Shandong Academy of Sciences), Jinan250014, China ；3. Key Laboratory for Natural Active Pharmaceutical Constituents Research in Universities of Shandong Province, School of Pharmaceutical Sciences, Qilu University of Technology (Shandong Academy of Sciences), Jinan 250014, China

Received:2025-02-12 Accepted:2025-04-20 Online:2025-11-19
Contact: DONG Hongjing E-mail:donghongjing_2006@163.com

摘要/Abstract

摘要： 采用超高效液相色谱-飞行时间质谱联用技术（UPLC-Q-TOF-MS/MS）分析干姜和炮姜的化学成分差异，并结合网络药理学初步探究其功效差异的潜在机制。通过UPLC-Q-TOF-MS/MS分析干姜和炮姜中化学成分，应用偏最小二乘法判别分析(PLS-DA)和随机森林（RF）筛选差异化合物；借助SuperPRED和GeneCards数据库分别获取药物靶点和疾病靶点，并通过维恩图映射出药物靶点与疾病靶点的共同靶点；借助String数据库构建PPI网络图，借助DAVID数据库对关键靶点进行GO和KEGG富集分析。UPLC-Q-TOF-MS/MS分析共指认出61个化学成分，共筛选出7-Gingerol、12-Gingerol和Gingerenone A等13个差异化合物；网络药理学结果提示，干姜主要作用于MAPK1、PTGS1和OPRD1等靶点，介导白细胞介素-17、Toll 样受体和TNF等信号通路的表达，缓解炎症反应，以发挥温中止痛之功效；炮姜主要作用于APEX1、SLC6A5和NFKB1等靶点，介导HIF-1信号通路、神经营养因子信号通路和细胞凋亡等，阻断疼痛信号传导，发挥温中散寒之功效。通过化学成分差异分析结合网络药理学方法，初步探讨了干姜和炮姜的功效差异的潜在机制，为其临床应用提供一定的科学依据。

关键词: 干姜, 炮姜, 超高效液相色谱-飞行时间质谱联用, 网络药理学, 化学成分, 功效差异

Abstract: Ultra-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS/MS) was used to analyze the differences in chemical composition of dried and baked ginger.Then, network pharmacology was applied to investigate the mechanisms underlying their differences in efficacy. The chemical components of dried and baked ginger were analyzed using UPLC-Q-TOF-MS/MS, and the differential compounds were screened using partial least squares-discriminant analysisand random forest methods. SuperPRED and GeneCards databases were employed to retrieve drug and disease targets, respectively.Common targets were identified using Venn diagram mapping. Protein–protein interaction networks were constructed using the STRING database, and key targets were subjected to Gene Ontology and Kyoto Encyclopedia of Genes and Genomes enrichment analyses using the DAVID database.The UPLC-Q-TOF-MS/MS identified 61 chemical components, screening out 13 differential compounds (e.g., 7-gingerol, 12-gingerol, and gingerenone A). The network pharmacology results revealed that dried ginger mainly acts on targets such as MAPK1, PTGS1, and OPRD1, mediating the expression of signaling pathways such as interleukin-17, toll-like receptor, and TNF to alleviate inflammatory responses, exerting a “warming the middle to relieve pain” effect. Baked ginger mainly targets APEX1, SLC6A5, and NFKB1, mediating the HIF-1 signaling pathway, neurotrophin signaling pathways, and apoptosis to block pain signal transmission, exerting a “warming the middle to dispelling cold” effect. By integrating chemical composition analysis and network pharmacology, this study elucidated the mechanisms underlying the distinct therapeutic effects of dried and baked ginger, providing a scientific basis for their clinical applications.

Key words: dried ginger, baked ginger, UPLC-Q-TOF-MS/MS, network pharmacology, differences in efficacy

中图分类号:

R285

李俊贤, 刘双, 米玉璋, 卢腾飞, 王晓, 董红敬, 刘子尧. 基于超高效液相色谱-飞行时间质谱联用技术结合网络药理学探讨干姜和炮姜“温中散寒”功效差异机制[J]. 山东科学, 0, (): 1-.

LI Junxian, LIU Shuang, MI Yuzhang, LUTengfei, WANG Xiao, DONG Hongjing, LIU Ziyao. Exploring the mechanisms underlying the differencesin the “warming the middle to dispel cold” effects of dried and baked ginger based on UPLC-Q-TOF-MS/MS combined with network pharmacology[J]. Shandong Science, 0, (): 1-.

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基于超高效液相色谱-飞行时间质谱联用技术结合网络药理学探讨干姜和炮姜“温中散寒”功效差异机制

Exploring the mechanisms underlying the differencesin the “warming the middle to dispel cold” effects of dried and baked ginger based on UPLC-Q-TOF-MS/MS combined with network pharmacology

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