Citation: CHEN Hai-Jun, QIN Hui-Yu, LONG Fei, YU Wei, WANG Ying-Hui, CHEN Lu-Jun, LI Quan-Kai, CHEN Wen, QIN Dong-Mei, HAN Bo. Screening of High-Affinity α-Glucosidase Inhibitors from Cichorium Glandulosum Boiss. et Hout Seed Based on Ultrafiltration Liquid Chromatography-Mass Spectrometry and Molecular Docking[J]. Chinese Journal of Analytical Chemistry, ;2017, 45(6): 889-897. doi: 10.11895/j.issn.0253-3820.170050 shu

Screening of High-Affinity α-Glucosidase Inhibitors from Cichorium Glandulosum Boiss. et Hout Seed Based on Ultrafiltration Liquid Chromatography-Mass Spectrometry and Molecular Docking

CHEN Hai-Jun ^1, ,
QIN Hui-Yu ¹ ,
LONG Fei ^1,2 ,
YU Wei ¹ ,
WANG Ying-Hui ¹ ,
CHEN Lu-Jun ¹ ,
LI Quan-Kai ¹ ,
CHEN Wen ¹ ,
QIN Dong-Mei ¹ ,
HAN Bo ¹

1.
School of Pharmacy, Shihezi University, Shihezi 832002, China;
2.
School of Chemistry and Chemical Engineering, Shihezi University, Shihezi 832002, China

Received Date: 19 January 2017
Revised Date: 2 May 2017

Fund Project: This work was supported by the National Natural Science Foundation of China (No. 81560680).

High-affinity α-glucosidase inhibitors were screened from Cichorium glundulosum Boiss.et Hout seed (CGS) extract by ultra-filtration affinity-liquid chromatography-mass spectrometry (UF-LC-MS) and molecular docking. By taking 4-nitrobenzene-α-D-glucopyranoside (PNPG) as substrate and acarbose as positive control to evaluate the inhibitory activity of CGS extract, IC₅₀ of acarbose and CGS extract were 0.003 mg/mL and 0.447 mg/mL, respectively. Meanwhile, 4 compounds from CGS extract by UF-LC-MS were screened and identified. Then by using autodock software, the compounds that combined with α-glucosidase were well screened out, including chlorogenic acid and isochlorogenic acid A. The inhibitory activity of chlorogenic acid and chlorogenic acid A against α-glucosidase was verified in vitro. The results showed that the inhibitory activity of the compounds toward α-glucosidase presented the sequence of acarbose> isochlorogenic acid A> chlorogenic acid. The inhibition rate of isochlorogenic acid A was close to acarbose. The experimental results illustrated that UF-LC-MS and molecular docking could be used to screen high affinity enzyme inhibitors from CGS.
- Ultrafiltration affinity,
- Liquid chromatography-mass spectrometry,
- Molecular docking,
- Cichorium glundulosum Boiss.et Hout seed,
- α-Glucosidase inhibitors
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