Screening out Biomarkers of Tetrastigma hemsleyanum for Anti-Cancer and Anti-Inflammatory Based on Spectrum-Effect Relationship Coupled with UPLC-Q-TOF-MS

• Published in: Molecules (Basel, Switzerland) Vol. 28; no. 7; p. 3021
• Main Authors: Xia, Jie, Li, Xiuyue, Lin, Min, Yu, Jiani, Zeng, Zhongda, Ye, Fei, Hu, Guanjun, Miu, Qiang, He, Qiuling, Zhang, Xiaodan, Liang, Zongsuo
• Format: Journal Article
• Language: English
• Published: Switzerland MDPI AG 28-03-2023; MDPI
• Subjects: Acids; alpha-Linolenic Acid; anti-cancer; anti-inflammatory; Anti-inflammatory agents; Anti-Inflammatory Agents - pharmacology; Antitumor activity; Apigenin; Biomarkers; Cancer; Catechin; Cell cycle; Chlorogenic Acid; Chromatography; Control systems; Correlation analysis; Cytokines; Fingerprints; Glucosides; Herbal medicine; Humans; Industrial research; Inflammation; Kaempferol; Kaempferols; Kinases; Linolenic acid; Liver cancer; Mass spectrometry; Natural products; Neoplasms; Pharmacodynamics; Quality assessment; Quality control; Quercetin; Quinic Acid; Scientific imaging; Software; spectrum-effect relationship; Statistical methods; Tetrastigma hemsleyanum; UPLC-Q-TOF-MS; Vitaceae - chemistry; China; Zhejiang China; anti-inflammatory; spectrum-effect relationship; Tetrastigma hemsleyanum; UPLC-Q-TOF-MS; anti-cancer; biomarkers
• ISSN: 1420-3049; 1420-3049
• DOI: 10.3390/molecules28073021

Diels et Gilg. (
) is an economically and medicinally valuable species within the genus Tetrastigma. However, the material basis of its pharmacological action and the biomarkers associated with its anti-cancer and anti-inflammatory effects are still unclear. Additionally, the
industry cannot grow because there is a lack of a scientific, universal, and measurable quality control system. This study aimed to explore the chemical basis quality markers related to the anti-cancer and anti-inflammatory effects of
to establish an effective quality evaluation method. UPLC-Q-TOF-MS
fingerprint profiles of
from different origins were established. Pharmacodynamic studies used HepG2 and HuH-7 cells and LPS-induced RAW264.7 to evaluate the anti-tumor and anti-inflammatory effects of the active ingredients. The spectrum-effect relationships between UPLC fingerprints and anti-cancer and anti-inflammatory activities were evaluated using PCA and PLSR statistical methods. Moreover, docking analysis was performed to identify specific active biomarkers with molecular targets associated with cancer and inflammation. Chlorogenic acid, quinic acid, catechin, kaempferol 3-rutinoside, apigenin-8-C-glucoside, and linolenic acid were associated with anticancer activity, while chlorogenic acid, quercetin, quinic acid, kaempferol 3-rutinoside, rutinum, apigenin-8-C-glucoside, and linolenic acid were associated with anti-inflammatory activity. The spectrum-effect relationship of
was successfully established, and the biomarkers for anti-cancer and anti-inflammatory effects were preliminary confirmed. These findings provide a theoretical basis for the elucidation of the substance basis of
and lay the foundation for its rapid identification, quality control, industrial research, and utilization.