Tandem high resolution mass spectrometry based phytochemical composition of Sauromatum guttatum tubers and its enzyme inhibitory potential with molecular docking

J Chromatogr A. 2022 Jun 7:1672:463055. doi: 10.1016/j.chroma.2022.463055. Epub 2022 Apr 12.

Abstract

Sauromatum guttatum has been traditionally used in the treatment of snakebite and tumors in India, Pakistan, and China. However, it lacks detailed phytochemical composition like other members of the family Araceae. Therefore, the aim of the present study was to investigate the phytochemical composition of crude methanolic extract and subsequent fractions from S. guttatum tubers and to determine their enzyme inhibitory potentials. The phytochemical profile was studied through tandem high-resolution mass-based phytochemical analysis and Global Natural Product Social (GNPS) molecular networking. Similarly, crude extract and fractions were also investigated for enzyme inhibitory activity against urease and α-glucosidase. Twenty-six compounds were dereplicated belonging to flavone C-glycosides, flavone O-glycosides, phenolic acids, phenolic acid glycosides, and iridoid glycosides. The n-butanol fraction was particularly found rich in flavone di-C-glycosides including schaftoside, isoschaftoside, neoschaftoside, and vicenin-2. The n-butanol fraction exhibited the highest in vitro inhibition against urease and α-glucosidase with IC50 values of 113.7 µg/mL and 155.3 µg/mL, respectively. The results of enzyme inhibition potential were also supported by in silico molecular docking studies against the above-mentioned enzymes. This is the first report on the detailed phytochemical profile of S. guttatum tubers, and these results will contribute to the chemosystematic knowledge of the Araceae family. The results of this study also suggest that S. guttatum may find possible applications in the treatment of gastrointestinal disorders and diabetes.

Keywords: Jack bean urease; Molecular docking studies; Sauromatum guttatum tubers; Tandem mass-based molecular networking; α-Glucosidase.

MeSH terms

  • 1-Butanol
  • Araceae*
  • Flavones* / chemistry
  • Glycosides / chemistry
  • Molecular Docking Simulation
  • Phytochemicals / pharmacology
  • Plant Extracts / chemistry
  • Plant Extracts / pharmacology
  • Tandem Mass Spectrometry
  • Urease
  • alpha-Glucosidases

Substances

  • Flavones
  • Glycosides
  • Phytochemicals
  • Plant Extracts
  • 1-Butanol
  • alpha-Glucosidases
  • Urease