首页|Inhibition of α‐glucosidase by Cyclocarya paliurus based on HPLC fingerprinting integrated with molecular docking and molecular dynamics
Inhibition of α‐glucosidase by Cyclocarya paliurus based on HPLC fingerprinting integrated with molecular docking and molecular dynamics
扫码查看
点击上方二维码区域，可以放大扫码查看
原文链接
NSTL
Abstract Cyclocarya paliurus (CP) extracts have been shown to lower sugar and lipid levels in blood, but the material basis is not clear. We analyzed CP aqueous extracts using high‐performance liquid chromatography “fingerprinting”, checked their pharmacological parameters using virtual screening, and undertook molecular docking and molecular dynamics simulations. Also, the inhibitory effects of CP components upon α‐glucosidase in vitro were evaluated. Fingerprinting and virtual screening showed that the aqueous extract of CP contained the active components protocatechuic acid, chlorogenic acid, caffeic acid and rutin, which were safe and had no side effects in vivo. Molecular docking and molecular dynamics simulations showed that chlorogenic acid and rutin might have a potent inhibitory effect on α‐glucosidase. An enzyme‐activity assay in vitro showed that the half‐maximal inhibitory values of chlorogenic acid and rutin were 398.9 and 351.8?μg/ml, respectively. Chlorogenic acid and rutin had an inhibitory effect on α‐glucosidase. Cyclocarya paliurus could be developed as a natural α‐glucosidase inhibitor.
Cyclocarya paliurusHPLC fingerprint spectrummolecular docking and molecular dynamicsα‐glucosidase
Bi‐Xin Zhao、Zhi‐Min Wu、Xiao‐Tong Liu、Hui Tian、Yu Zeng、Shan‐Shan Chai、Jia‐Han Cai、Jia‐Hui Luo
展开 >
Guangdong Pharmaceutical University
Guangxi University of Traditional Chinese Medicine
NSTL
