title: A strategy for screening of high-quality enzyme inhibitors from herbal medicines based on ultrafiltration LC-MS and in silico molecular docking.
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.
authors.affiliation: State Key Laboratory of Natural Medicines, China Pharmaceutical University, No. 24, Tongjia Lane, Jiangsu, Nanjing 210009, China. liping2004@126.com yanghuacpu@126.com.
authors.forename: Hui-Peng
authors.initials: HP
authors.lastname: Song
authors.forename: Jun
authors.initials: J
authors.lastname: Chen
authors.forename: Jia-Ying
authors.initials: JY
authors.lastname: Hong
authors.forename: Haiping
authors.initials: H
authors.lastname: Hao
authors.forename: Lian-Wen
authors.initials: LW
authors.lastname: Qi
authors.forename: Jun
authors.initials: J
authors.lastname: Lu
authors.forename: Yu
authors.initials: Y
authors.lastname: Fu
authors.forename: Bin
authors.initials: B
authors.lastname: Wu
authors.forename: Hua
authors.initials: H
authors.lastname: Yang
authors.forename: Ping
authors.initials: P
authors.lastname: Li
mesh_terms: D002853:Chromatography, Liquid; D003198:Computer Simulation; D004791:Enzyme Inhibitors / Q000032:analysis*; D013058:Mass Spectrometry; D062105:Molecular Docking Simulation; D028321:Plant Preparations / Q000737:chemistry*; D010946:Plants, Medicinal / Q000737:chemistry*; D014462:Ultrafiltration
chemical_list: D004791:Enzyme Inhibitors; D028321:Plant Preparations