A strategy for screening of high-quality enzyme inhibitors from herbal medicines based on ultrafiltration LC-MS and in silico molecular docking

Chem Commun (Camb). 2015 Jan 28;51(8):1494-7. doi: 10.1039/c4cc08728c.

Abstract

A novel strategy of ultrafiltration LC-MS and in silico molecular docking was proposed to discover high-quality enzyme inhibitors from herbal medicines. Using this strategy, two compounds were predicted and finally demonstrated as potent xanthine oxidase inhibitors, whose in vitro IC50 values were lower than that of a positive control allopurinol.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Chromatography, Liquid
  • Computer Simulation
  • Enzyme Inhibitors / analysis*
  • Mass Spectrometry
  • Molecular Docking Simulation
  • Plant Preparations / chemistry*
  • Plants, Medicinal / chemistry*
  • Ultrafiltration

Substances

  • Enzyme Inhibitors
  • Plant Preparations