New insights into the in vitro biological effects, in silico docking and chemical profile of clary sage - Salvia sclarea L

Comput Biol Chem. 2018 Aug:75:111-119. doi: 10.1016/j.compbiolchem.2018.05.005. Epub 2018 May 6.

Abstract

Salvia sclarea L. is traditionally used to manage common human ailments and is consumed as a food product. This study aimed to establish the phytochemical profile and antioxidant potential of ethyl acetate, methanol, and water extracts of Salvia sclarea. The inhibitory action of the extracts against α-amylase, α-glucosidase, acetylcholinesterase, butyrylcholinesterase, and tyrosinase was also investigated. Methanol extract showed the highest phenolic and flavonoid contents (81.78 mg GAE/g extract and 40.59 mg RE/g extract, respectively). Reversed phase high performance liquid chromatography with diode array detector analysis revealed that S. sclarea was rich in rosmarinic acid. The water extract exhibited the lowest inhibitory activity against α-amylase but the upmost activity against α-glucosidase (0.19 and 18.24 mmol ACAE/g extract, respectively). Experimental data showed that only the water extract (8.86 mg KAE/g extract) significantly inhibited tyrosinase. Docking studies showed that quercetin binds to tyrosinase by two hydrogen and a pi-pi bonds. Salvia sclarea showed interesting biological activity against key enzymes involved in the pathogenesis of common ailments.

Keywords: Clary sage; Molecular docking; Natural enzyme inhibitors; Salvia.

MeSH terms

  • Acetylcholinesterase
  • Antioxidants / chemistry
  • Antioxidants / isolation & purification
  • Antioxidants / pharmacology*
  • Butyrylcholinesterase
  • Chromatography, High Pressure Liquid
  • Dose-Response Relationship, Drug
  • Enzyme Inhibitors / chemistry
  • Enzyme Inhibitors / isolation & purification
  • Enzyme Inhibitors / pharmacology*
  • Humans
  • Ligands
  • Molecular Docking Simulation*
  • Monophenol Monooxygenase
  • Phytochemicals / chemistry
  • Phytochemicals / isolation & purification
  • Phytochemicals / pharmacology*
  • Plant Extracts / chemistry
  • Plant Extracts / isolation & purification
  • Plant Extracts / pharmacology*
  • Salvia / chemistry*
  • Structure-Activity Relationship
  • alpha-Amylases / antagonists & inhibitors
  • alpha-Amylases / metabolism
  • alpha-Glucosidases

Substances

  • Antioxidants
  • Enzyme Inhibitors
  • Ligands
  • Phytochemicals
  • Plant Extracts
  • Monophenol Monooxygenase
  • Acetylcholinesterase
  • Butyrylcholinesterase
  • alpha-Amylases
  • alpha-Glucosidases