Screening of G-quadruplex ligands from Macleaya cordata extract by contrast ultrafiltration with liquid chromatography-mass spectrometry and molecular docking.
10.19540/j.cnki.cjcmm.20200519.202
- Author:
Yan GAO
1
;
Wei-Wei QIN
1
;
Yue-Wei GE
2
;
Yue SUN
2
;
You-Shao YAN
1
;
Yu ZENG
2
;
Feng WANG
2
Author Information
1. School of Traditional Chinese Medicine, Guangdong Pharmaceutical University Guangzhou 510006, China.
2. School of Traditional Chinese Medicine, Guangdong Pharmaceutical University Guangzhou 510006, China Key Laboratory of Digital Quality Evaluation of Chinese Materia Medica of State Administration of Traditional Chinese Medicine Guangzhou 510006, China Engineering Technology Research Center for Chinese Materia Medica Quality of the Universities of Guangdong Province Guangzhou 510006, China.
- Publication Type:Journal Article
- Keywords:
G-quadruplex DNA;
Macleaya cordata;
liquid chromatography-mass spectrometry;
molecular docking;
ultrafiltration
- MeSH:
Chromatography, High Pressure Liquid;
Chromatography, Liquid;
G-Quadruplexes;
Ligands;
Mass Spectrometry;
Molecular Docking Simulation;
Ultrafiltration
- From:
China Journal of Chinese Materia Medica
2020;45(16):3908-3914
- CountryChina
- Language:Chinese
-
Abstract:
G-quadruplex DNA has become an important target for tumor therapy and anti-tumor development. Modern pharmacology has proved that Macleaya cordata has anti-inflammatory, antibacterial, anti-tumor and other pharmacological effects. Affinity ultrafiltration method can screen active ingredients from compounds rapidly, but G-quadruplex DNA ligands are difficult to dissociate, which is a key step in conventional ultrafiltration method. In this paper, the filtrates after ultrafiltration were determined by HPLC-MS in substitution. The peaks with 20% reduction of MS response from the incubation vs control were considered to be ligand components to G-quadruplex. Two of the peaks with the relative abundance above 30% were identified as sanguinarine(SAN) and chelerine(CHE). Their circular dichroism conformations further proved that SAN and CHE are active ligands of HT4. In addition, another two gradients with high relative abundance were identified as protopine(PRO) and allpcryprotopine(ALL). The binding rate of SAN, CHE, PRO and ALL was calculated according to the HPLC-MS results, and the results showed a consistency with that of the molecular docking method. The proposed method can be used to screen active components from mixture.
