JOURNAL OF LIGHT INDUSTRY

CN 41-1437/TS  ISSN 2096-1553

Volume 37 Issue 6
December 2022
Article Contents
DONG Shiyu, ZHAO Shuai, YI Junjie and et al. Inhibitory effect and molecular mechanism of alcohol extract from Rosa roxburghii Tratt towards xanthine oxidase[J]. Journal of Light Industry, 2022, 37(6): 42-49. doi: 10.12187/2022.06.006
Citation: DONG Shiyu, ZHAO Shuai, YI Junjie and et al. Inhibitory effect and molecular mechanism of alcohol extract from Rosa roxburghii Tratt towards xanthine oxidase[J]. Journal of Light Industry, 2022, 37(6): 42-49. doi: 10.12187/2022.06.006 shu

Inhibitory effect and molecular mechanism of alcohol extract from Rosa roxburghii Tratt towards xanthine oxidase

  • Received Date: 2022-05-31
  • The ethanol extract of Rosa roxburghii Tratt analyzed by UHPLC-ESI-HRMS/MS. Meanwhile, the inhibitory effect of the extract towards xanthine oxidase (XOD) Rosa roxburghii Tratt was investigated in vitro. The potential active components and mechanism were investigated by molecular docking and molecular dynamics. The result showed phenolics, flavonoids and terpenoids were the main components in the ethanol extract of Rosa roxburghii Tratt, among which kajiichigoside 2 and (-) catechin were the most abundant components, accounting for 19.64% and 8.83% of dry matter, respectively. The ethanol extract of Rosa roxburghii Tratt had a good inhibitory effect on xanthine oxidase with IC50 value of 8.17 μg/mL. Among the components with higher content of ethanol extract of Rosa roxburghii Tratt, (-) catechin has higher docking activity. Molecular dynamics simulations showed that it could interact with multiple amino acid residues of XOD by van der Waals force and hydrogen bond, forming conformational stable complexes and inhibiting the active site of XOD.
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