Wang Xiao-Li, Peng Mei-Mei, Chen Qi, Mei Xi, He Tian-Yu, Hou Jin-Cai, Guo Yong, Lu Tu-Lin, Mao Chun-Qin
School of Pharmacy, Nanjing University of Chinese Medicine Nanjing 210023, China.
China Shineway Pharmaceutical Group Limited Shijiazhuang 051430, China.
Zhongguo Zhong Yao Za Zhi. 2023 Mar;48(5):1249-1263. doi: 10.19540/j.cnki.cjcmm.20221130.302.
The chemical components of Huanglian Decoction were identified by ultra-performance liquid chromatography-quadrupole-time-of-flight-tandem mass spectrometry(UPLC-Q-TOF-MS/MS) technology. The gradient elution was conducted in Agilent ZORBAX Extend-C_(18) column(2.1 mm×100 mm, 1.8 μm) with the mobile phase of 0.1% formic acid aqueous solution(A)-acetonitrile(B) at a flow rate of 0.3 mL·min~(-1) and the column temperature of 35 ℃. The MS adopted the positive and negative ion mode of electrospray ionization(ESI), and the MS data were collected under the scanning range of m/z 100-1 500. Through high-resolution MS data analysis, combined with literature comparison and confirmation of reference substances, this paper identified 134 chemical components in Huanglian Decoction, including 12 alkaloids, 23 flavonoids, 22 terpenes and saponins, 12 phenols, 7 coumarins, 12 amino acids, 23 organic acids, and 23 other compounds, and the medicinal sources of the compounds were ascribed. Based on the previous studies, 7 components were selected as the index components. Combined with the network pharmacology research and analysis me-thods, the protein and protein interaction(PPI) network information of the intersection targets was obtained through the STRING 11.0 database, and 20 core targets of efficacy were screened out. In this study, UPLC-Q-TOF-MS/MS technology was successfully used to comprehensively analyze and identify the chemical components of Huanglian Decoction, and the core targets of its efficacy were discussed in combination with network pharmacology, which laid the foundation for clarifying the material basis and quality control of Huanglian Decoction.
采用超高效液相色谱-四极杆-飞行时间串联质谱(UPLC-Q-TOF-MS/MS)技术对黄连汤的化学成分进行鉴定。在Agilent ZORBAX Extend-C₁₈柱(2.1 mm×100 mm,1.8 μm)上进行梯度洗脱,流动相为0.1%甲酸水溶液(A)-乙腈(B),流速为0.3 mL·min⁻¹,柱温为35℃。质谱采用电喷雾电离(ESI)的正、负离子模式,在m/z 100 - 1500扫描范围内采集质谱数据。通过高分辨率质谱数据分析,结合文献比对和对照品确证,鉴定出黄连汤中的134种化学成分,包括12种生物碱、23种黄酮类、22种萜类和皂苷类、12种酚类、7种香豆素类、12种氨基酸、23种有机酸以及23种其他化合物,并归属了这些化合物的药用来源。基于前期研究,选取7种成分作为指标成分。结合网络药理学研究与分析方法,通过STRING 11.0数据库获得交集靶点的蛋白质-蛋白质相互作用(PPI)网络信息,筛选出20个核心药效靶点。本研究成功运用UPLC-Q-TOF-MS/MS技术对黄连汤的化学成分进行了全面分析与鉴定,并结合网络药理学探讨了其药效的核心靶点,为阐明黄连汤的物质基础及质量控制奠定了基础。