Characterization of seaweed hypoglycemic property with integration of virtual screening for identification of bioactive compounds

Yao Xian Chin, Xin Chen, Wan Xiu Cao, Yurizam Sharifuddin, Brian D. Green, Phaik Eem Lim, Chang Hu Xue, Qing Juan Tang*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

4 Citations (Scopus)

Abstract

Seaweeds have been studied extensively for their nutritional values but their potential nutraceutical application remained underutilized due to uncharacterized bioactive compounds. Here we demonstrated that water extracts of Kappaphycus, Halimeda, Padina and Sargassum were able to improve insulin resistance, reduced hyperglycemia and protect liver and pancreatic tissue from HFD-induced damage in mice, with both Padina and Sargasssum displayed more significant results than the other two seaweeds. A list of potential bioactive compounds was then composed by virtual screening of 276 compounds detected by LC-MS on selected Padina fractions using molecular docking by Surflex-Dock. Further analysis determined punicate as the most potent bioactive compound that inhibits both glucosidase and dipeptidyl-peptidase-4 enzymes. In conclusion, we discovered novel in vivo hypoglycemic activity in Halimeda and several potential α-glucosidase and DPP-4 inhibitors in Padina via virtual screening, demonstrating the efficacy of molecular docking to facilitate discovery of novel bioactive compounds.

Original languageEnglish
Article number103656
Number of pages11
JournalJournal of Functional Foods
Early online date05 Nov 2019
DOIs
Publication statusEarly online date - 05 Nov 2019

Keywords

  • Bioactive compound
  • Hypoglycaemia
  • Molecular docking
  • Seaweed
  • Surflex-Dock
  • Virtual screening

ASJC Scopus subject areas

  • Food Science
  • Medicine (miscellaneous)
  • Nutrition and Dietetics

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